Sabri Youssef
Sabri Youssef
Sabri Youssef
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More light on the 2ν5 Raman overtone of SF6: Can a weak anisotropic spectrum be due to a strong
transition anisotropy?
J. Chem. Phys. (January 2014)
AFFILIATIONS
1
Department of Mathematics, Faculty of Science, Cairo University, Giza 12613, Egypt
2
Science Division, New York University Abu Dhabi, Saadiyat Island, Abu Dhabi, United Arab Emirates
3
Courant Institute of Mathematical Sciences, New York University, 251 Mercer St., New York, New York 10012, USA
Note: Paper published as part of the Special Topic on New Directions in Disordered Systems: In Honor of Abel Klein.
a)
Author to whom correspondence should be addressed: mostafa.sabri@nyu.edu
b)
E-mail: yp27@nyu.edu
ABSTRACT
We study flat bands of periodic graphs in a Euclidean space. These are infinitely degenerate eigenvalues of the corresponding adjacency matrix,
with eigenvectors of compact support. We provide some optimal recipes to generate desired bands and some sufficient conditions for a graph
to have flat bands, we characterize the set of flat bands whose eigenvectors occupy a single cell, and we compute the list of such bands for small
I. INTRODUCTION
Consider a connected, locally finite graph Γ, which is invariant under translation by some linearly independent vectors a1 , . . . , ad (we say
that Γ is Zd -periodic). Using Floquet theory (Sec. II), one sees that σ( AΓ ), the spectrum of the 0/1 adjacency matrix of Γ, consists of bands.
At least one of these bands will be non-degenerate (absolutely continuous), but curiously, degenerate bands do occur here, in contrast to the
classical periodic Schrödinger operators in Rd . These degenerate bands are infinitely degenerate eigenvalues for AΓ , and they always have
corresponding eigenvectors of compact support. See Fig. 1 for an example. They are called flat bands for Γ, the terminology coming from the
fact that the corresponding Floquet eigenvalue Ej (θ) is constant in the quasimomentum θ and thus traces a single point as θ varies in [ 0, 1 )d ,
instead of a nontrivial interval [a, b]. The graph of θ ↦ Ej (θ) is thus completely flat; see, e.g., Ref. 23, Fig. 6 for an illustration.
There has been intensive activity in the physics community in recent years regarding these flat bands, as they have found applications in
the contexts of superfluidity, topological phases of matter, and many-body physics; see Refs. 9, 20, 22, and 23 and references therein.
Mathematically, the topic has been much less explored. The basic problem that one would want to consider is the following: “Given a
connected periodic Γ, by looking at the graph, decide whether or not Γ has a flat band.”
More precisely, let V f be the vertices of the motif, which is copied by integer translations. The translated motifs should not intersect one
another and should span Γ. Let
ν = ∣Vf ∣,
e.g., ν = 2 in Fig. 1. Several choices of V f are possible; fix one. For vi ∈ V f ⊂ Γ, let N vi be the set of neighbors of vi in the full graph Γ.
Problem 1. For each fixed ν, find all possible choices of N vi and d such that Γ has a flat band. If possible, find the corresponding values
of the flat band λ.
This problem is completely open, and it may be too ambitious as stated. Note that vi can hop to large lattice distances, at least from a
mathematical standpoint. We reformulate this question algebraically in Sec. I B.
FIG. 1. Flat bands λ = −1 (left) and λ = 0 (right). The values of eigenvectors are given (they are extended by zero to the infinite Γ).
A. Main results
In this paper, we take some small steps toward understanding the emergence of flat bands. In Sec. II, we gather and prove some folklore
results. In Sec. III, we provide recipes to generate graphs with or without flat bands. More precisely, we give a construction in Theorem 3.1
to generate flat bands from eigenvalues of finite graphs, and we identify corresponding eigenvectors. Our generator is shown to be optimal in
the size of V f . In the special case where the eigenvalue comes from a regular graph, we provide a more efficient generator. On the other hand,
we give simple operations to construct new graphs from old ones, which preserve the lack of flat bands in Sec. III B.
Next, we characterize the set of flat bands for which there exist eigenvectors localized within a fundamental cell in Theorem 4.6. These
types of flat bands have been known to be more tractable in the physics community.9 We apply our criterion to deduce further structural results
about these bands and also to compute explicitly the set F sν of such flat bands for ν ≤ 5 in Sec. IV (the superscript s stands for “single-cell”).
In doing so, we note a curious property about the growth of F sν with ν and formulate an open question.
Back to the main problem (problem 1) of characterizing flat bands, in general, we show in Sec. VI that if Γ is invariant under some
symmetries, then it has flat bands. This approach appeared originally in Ref. 23, and we give a more general and precise statement using a
different proof. These symmetry conditions are not necessary, however.
The converse, namely, finding sufficient conditions for the absence of flat bands, seems a lot more challenging. We have the following.
Fact. If ν = 1 and d is arbitrary, then the spectrum consists of a single band of an absolutely continuous spectrum.
Indeed, A is then equivalent to multiplication by E(θ) = ∑Dp=1 2 cos (2πθ ⋅ n(p) ) in L2 [ 0, 1 )d for some n(p) ∈ Nd /{0}. As E(θ) is analytic
and nonconstant, the claim follows.
We show in Sec. VII that PΓ is a closed semialgebraic set. An answer to problem 2 would imply that PΓ has Lebesgue measure zero,
reflecting the rarity of flat bands, and is nowhere dense, reflecting the fine tuning (it would contain no balls: given AΓ + Q, there would exist
Q′ arbitrarily close to Q such that AΓ + Q′ has no flat bands). Showing these weaker properties would already be interesting for physical
purposes.
We also show in Sec. VII that for any ν, there exists some Γ with dim ( PΓ ) ≥ ν − 1, so the conjectured bound on the dimension cannot
be improved, in general. Moreover, we answer problem 2 completely for ν = 2; it remains open for ν ≥ 3.
For the reader’s convenience, we summarize the results of this paper:
(1) For any strictly positive periodic weight w on the edges and any periodic potential Q, the top band of H = Aw + Q is never flat. There
are examples of complex Hermitian weights w such that the spectrum of H is entirely flat.
H has a localized eigenvector iff the Floquet matrix H(θ) has an eigenvector, which is a trigonometric polynomial in each entry.
There is a constructive recipe to derive one from the other (Sec. II).
(2) If Γ is invariant under a permutation of V f consisting of r cycles, which exchanges stars around vertices, then Γ has at least ν − r flat
bands. In particular, if N vi /{v j } = N v j /{vi } for some vi , vj ∈ V f , then Γ has a flat band λ ∈ {0, −1} (Sec. VI).
(3) We have a recipe to make all eigenvalues of any finite graph G appear as flat bands such that the eigenvectors of AΓ are entirely
supported in V f , with ∣V f ∣ = 2∣G∣. We call these single-cell flat bands. The recipe is optimal in the size of V f . We also have recipes to
create graphs with arbitrary d, ν, which have no flat bands (Sec. III).
(4) We characterize the set F sν of single-cell flat bands and apply our criterion to compute F sν explicitly for ν ≤ 5. In general, F sν ⊆ F sν+1 ,
we have a description of F sν+1 / F sν , and ∪ν F sν is the set of all totally real algebraic integers (Sec. IV).
(5) Flat bands for ν = 2 are necessarily integers. They are not necessarily in F s2 . A sufficient condition is given for the absence of flat bands
(Sec. V).
(6) We answer problem 2 for ν = 2. For general ν, we show that the set PΓ in (1.1) is closed, semialgebraic and can satisfy dim PΓ ≥ ν − 1
for certain Γ. A stronger form of problem 2 was conjectured in Ref. 15; we show that version to be untrue (Sec. VII).
Point (1) is essentially folklore, while point (2) is inspired from Ref. 23; in both cases, we provide more precise and general statements
with simpler proofs. Flat band generators occupy a large part of physics literature; the one in (3), though very simple, is to our knowledge
new. Points (4)–(6) are new. We recall here that our main interest is in the adjacency matrix, so in all the previous results, except (1) and (6),
we assume that there is no nontrivial potential or edge weight. We have not investigated the effect of potential in points (2)–(5).
We refer to Refs. 13, 14, and 22 for further results, in particular concerning spectral gaps and singularities in band crossings. Flat bands
have also been investigated in the special framework of Archimedean tilings of the plane in Ref. 21. There is a total of 11 such tilings, with
explicit Floquet matrices. By analyzing each of them, the authors show that only two of them have flat bands. The question of perturbation by
edge weights was later studied in Ref. 12, and it was found that for flat bands to survive, some explicit relations between the weights must be
satisfied. This is in accord with problem 2. We also mention the recent paper6 where compactly supported eigenfunctions have been studied
in the Penrose and Amman–Beenker aperiodic tilings of the plane.
To conclude, let us mention that “flat bands” also arise in the context of universal covers of finite undirected graphs. The spectra of
B. Algebraic formulation
The question of flat band existence can be reduced to the following. Let hi j (z) = ∑k ∈Ii j zk be Laurent polynomials on Cd /{0} for 1 ≤ i, j
≤ ν, where Ii j ⊂ Zd is finite and zk = z1k1 ⋅ ⋅ ⋅ zdkd . We assume hji (z) = hij (z−1 ), so I ji = −I ij . We assume 0 ∉ I ii for all i. Some I ij can be empty.
Now, consider the ν × ν matrix A(z) = (hij (z)). What are all the possible choices of I ij and λ ∈ R such that the characteristic polynomial
pλ (z) = det(A(z) − λ) vanishes identically as a Laurent polynomial? This is essentially problem 1.
For example, if ν = 2, this becomes a question of factorization. Namely, what are all the choices of I ij and λ such that (h11 (z) − λ)(h22 (z)
− λ) = h12 (z)h12 (z−1 )? In the special case h12 (z−1 ) = h12 (z), the question is when can we have Pλ (z)Qλ (z) = H(z)2 for Laurent polynomials
whose zk coefficients are 0 or 1 for k ≠ 0. An obvious choice is Pλ = Qλ = H, but there are other choices (see Sec. V B), yet we do not know all
of them.
Technically, not all choices of I ij and λ will answer the question of flat band existence: one also needs to assume that the periodic graph
generated by A(z) is connected (see Sec. II for the connection to Γ). For example, while (z2 + z−2 + 2)(z4 + z−4 + 2) = (z3 + z−3 + z + z−1 )2 is
a valid factorization, the corresponding Γ is disconnected, so this choice of I ij and λ has to be disregarded.
Another concept of algebraic flavor related to periodic operators is that of irreducibility. The question is whether the characteristic
polynomial pλ (z) is irreducible as a Laurent polynomial, either for fixed λ (Fermi irreducibility) or as a polynomial in both λ and z (Bloch
irreducibility). In the case of Bloch irreducibility, there are no flat bands [if λ = c was flat, then pλ (z) = (λ − c)qλ (z) would be a nontrivial
factorization], but irreducibility is strictly stronger. So far, irreducibility has been established for graphs with ν = 1, such as Zd endowed with
periodic potentials,7,18 and for planar graphs with ν = 2.17 The number of irreducible components for more general graphs with ν > 1 has
recently been investigated in Ref. 8.
C. Index of notation
Due to there being quite a lot of notations used in different places throughout this article, we summarize them in Table I and introduce
them again as needed.
II. GENERALITIES
Let Γ be an infinite graph in some Euclidean space, which is locally finite and has no self-loops. We assume that Γ is invariant under
translation by linearly independent vectors a1 , . . . , ad . The vertex set V = V(Γ) satisfies
for some finite vertex set V f = {v1 , . . . , vν } of a motif, which is copied periodically under translations by ka ∶= ∑di=1 ki ai ∈ Zda , where
Zda = {ka : k ∈ Zd }.
Endow Γ with periodic potential Q(vp + ka ) = Q(vp ) and edge weights w(vp , vq + ka ) = w(vp − ka , vq ) for vq + ka ∼ vp . We consider the
Schrödinger operator
H = Aw + Q
on Γ, where ( Aw ψ)(vi + ra ) = ∑u∼vi +ra w(vi + ra , u)ψ(u)for vi + ra ∈ Vf + Zda . Let
I i j = {v j + ka : v j + ka ∼ vi }, Ii j = {k : v j + ka ∈ I i j }. (2.2)
I ij dictate the hopping (if k ∈ I ij , then there is an edge from V f to its kth translate, k ∈ Zd ). Note that 0 ∉ I ii since Γ has no self-loops. We
have
ν
N vi = ∪ j=1 I i j
and ( Aw ψ)(vi + ra ) = ∑νj=1 ∑k ∈Ii j w(vi + ra , v j + ra + ka )ψ(v j + ra + ka ).
We henceforth identify ℓ2 (Γ) ≡ ℓ2 (Zd )ν via ψ(vp + ka ) ↦ ψp (k) for p = 1, . . . , ν and k ∈ Zd . We similarly map Q(vp ) ↦ Qp and
w(vp , v j + ra ) ↦ wp j (r). Then, H is now regarded as operating on vector functions ψ ∈ ℓ2 (Zd )ν by
ν
( Hψ)i (r) = ∑ ∑ wi j (k)ψ j (r + k) + Qi ψi (r). (2.3)
j=1 k∈Ii j
1
For example, in Fig. 1 (left), we have I 11 = I 22 = {±1}, I 12 = {0, ±1} = I 21 , w ≡ 1, and Q ≡ 0, and the depicted eigenvector is ψ(0) = ( −1 ),
0
ψ(k) = ( 0 ) for k ∈ Z/{0}.
Much like the Fourier transform is used to check that AZd is unitarily equivalent to M f , the multiplication operator by
f (θ) = ∑dj=1 2 cos 2πθ j on L2 (Td∗ ), where Td∗ ∶= [ 0, 1 )d , the Floquet transform U : ℓ2 (Zd )ν → L2 (Td∗ )ν defined by
where (M H f )(θ) = H(θ) f (θ) is the multiplication operator on L2 (Td∗ )ν by the matrix
This is quite standard,4,15 though our language is simpler and more general.
Proof. Being the Fourier transform in each coordinate, U is clearly unitary. The pre-image of f (θ) is ϕp (k) = ∫Td fp (θ)e2πik⋅θ dθ. Next
∗
given ψ ∈ ℓ2 (Zd )ν ,
⎛ ν ⎞
(U Hψ)p (θ) = ∑ e−2πiθ⋅k ∑ ∑ wp j (r)ψ j (k + r) + Qp ψp (k)
k∈Zd
⎝ j=1 r∈Ip j ⎠
ν
= ∑ ∑ wp j (r)e2πiθ⋅r ∑ e−2πiθ⋅(k+r) ψ j (k + r) + Qp (Uψ)p (θ)
j=1 r∈Ip j k∈Zd
ν
= ∑ hp j (θ)(Uψ) j (θ) = [H(θ)(Uψ)(θ)]p.
j=1
as index sets. Note, however, that I ij can be distinct from −I ij for i ≠ j. Assuming that w satisfies w ji (−k) = wij (k), we get by (2.7) that the
matrix H(θ) is Hermitian,
h ji (θ) = hij (θ).
Lemma 2.2. There exist ν continuous functions E1 (θ) ≤ ⋅ ⋅ ⋅ ≤ Eν (θ) on Td∗ consisting of the eigenvalues of H(θ).
There exists a real analytic variety X ⊂ Td∗ of dimension ≤ d − 1 (so X is a closed nullset) such that the eigenvalues Ej (θ) of H(θ) are
analytic on Td∗ /X. Each eigenvalue has constant multiplicity on each of the finitely many connected components of Td∗ /X.
If d = 1, the eigenvalues and eigenvectors can be chosen to be analytic over all T∗ . This is Rellich’s theorem; it holds, more generally,
when H(θ) has a compact resolvent, see Ref. 11, Theorem 3.9, p. 392, as long as H(θ) is self-adjoint and θ ∈ T∗ is a real parameter.
Proof. The continuity of Ej is shown in Ref. 11, pp. 106–109. The argument there is for d = 1, but holds without change for any d. In
steps, one shows that the resolvent is continuous in θ and then deduces the continuity of the spectral projection near the distinct Ej (θ0 ), from
which one gets that H(θ) has m eigenvalues Ej,k (θ) close to Ej (θ0 ) counting multiplicity, if Ej (θ0 ) has multiplicity m and θ is close to θ0 .
Analyticity cannot be directly deduced from the 1d arguments in Ref. 11. Still, the proof of our statement is the same as Ref. 27,
Lemmas 4.5–4.7, which consider periodic Schrödinger operators in R3 . In our case, the argument is simpler as we can define directly the
corresponding set E = {(θ, λ) ∈ Rd+1 : p(θ, λ) = 0}, where p(θ, λ) = det(H(θ) − λI) is the characteristic polynomial, which is analytic, being
a polynomial of the analytic entries of H(θ) − λI. We also fix n ∶= ν in Lemmas 4.6–4.7 of Ref. 27. ◻
It follows from (2.5) and the continuity of Ej (θ) that
σ( H) = ∪νj=1 σ j ,
where σ j = Ran Ej (θ) are bands, as M H is equivalent to M D , with D(θ) = Diag(Ej (θ)). The operator H has no singular continuous spectrum
(Ref. 10, Proposition 4.5). One can also see that from the analyticity of Ej (θ) on Td∗ /X, because all partial derivatives ∂θk E j (θ) are analytic as
well, hence either Ej (θ) is constant and σ j is reduced to a point, yielding a point spectrum, or ∇θ Ej (θ) ≠ 0 a.e. and σ j consists of an absolutely
continuous spectrum.
Lemma 2.3. λ is a flat band of H iff λ is an eigenvalue of H(θ) for all θ ∈ Td∗ .
Proof. By (2.5), λ is an eigenvalue of H iff λ is an eigenvalue of H(θ) for all θ in a set Ω ⊂ Td∗ of positive measure. Indeed, if M H has
an eigenvalue λ, there is a corresponding eigenvector f ∈ L2 (Td∗ )ν such that M H f = λf , i.e., H(θ) f (θ) = λf (θ) for a.e. θ ∈ Td∗ . Conversely,
if there is some f (θ) such that H(θ) f (θ) = λf (θ) for all θ ∈ Ω of positive measure, then M H f 1Ω = λf 1Ω , so λ is an eigenvalue of M H with
eigenvector f 1Ω .
Thus, λ is an eigenvalue of H iff p(θ; λ) ∶= det(H(θ) − λI) = 0 for all θ ∈ Ω. As p(⋅; λ) is analytic on Td∗ , then p(⋅; λ) ≡ 0 on Ω iff it
vanishes on all Td∗ ; see, e.g., Ref. 10, Proposition 4.3. ◻
Define the maximal hopping range in the ith coordinate by
Theorem 2.4. If H has a flat band, then it has a corresponding eigenvector ψ on Γ of compact support. We may choose ψ p to be supported
inside ×di=1 [[−(ν − 1)hi , (ν − 1)hi ]] for each p = 1, . . . , ν.
This result should be contrasted with the one of Ref. 19, which shows that the wavefunctions corresponding to the absolutely continuous
bands are very delocalized. See also Ref. 4 and references therein for connections with transport. Theorem 2.4 appeared in Ref. 10, Theorem 3.2.
We give a different proof, which is constructive and is of practical interest, as we illustrate on some graphs. This also yields the bound on the
support, which seems new but is probably not sharp. The proof is based on two results.
Lemma 2.5. If H has a flat band, then H(θ) has a corresponding eigenvector f (θ) whose entries f p (θ) are trigonometric polynomials of
degree at most (ν − 1)hi in each θi .
Proposition 2.6. If H(θ) has an eigenvector f (θ) of entries fp (θ) = ∑m ∈Λp αp (m)e−2πim⋅θ for some finite Λp ⊂ Zd , p = 1, . . . , ν, then
defining ψ p (k) = αp (k) if k ∈ Λp and ψ p (k) = 0 otherwise, ψ is a localized eigenvector for H.
Conversely, if H has an eigenvector ψ of finite support Λp in each entry p = 1, . . . , ν and we let fp (θ) = ∑k ∈Λp e−2πiθ⋅k ψp (k), then f (θ) is
an eigenvector for H(θ).
In particular, H has an eigenvector localized in V f iff H(θ) has an eigenvector independent of θ.
See the graphs in Figs. 10 and 11 for an illustration of this construction.
Proof. Let ψp (k) = ∫Td fp (θ)e2πik⋅θ dθ, the pre-image of f (θ) under U. Then, (U Hψ)(θ) = H(θ)(Uψ)(θ) = H(θ) f (θ) = λ f (θ)
∗
= λ(Uψ)(θ), so ψ is an eigenvector of H since U is unitary. The first claim follows since ∫Td e2πi(k−m)⋅θ dθ = δk,m .
∗
Next, for ψ in the converse statement, (2.4) becomes (Uψ)p (θ) = ∑k ∈Zd e−2πiθ⋅k ψp (k) = fp (θ). Moreover, (Uψ)(θ) is an eigenvector of
H(θ) since H(θ)(Uψ)(θ) = (U Hψ)(θ) = λ(Uψ)(θ), where we used Hψ = λψ.
The special case follows by taking Λp = {0} for each p. ◻
Proof of Theorem 2.4. This now follows from Lemma 2.5 and Proposition 2.6. ◻
Note that if H has an eigenvector of compact support, then it can be translated under the action of Zd to produce infinitely many such
vectors, which are mutually orthogonal. Hence, a flat band has infinite multiplicity for H.
Theorem 2.7. If the weight w is symmetric, wji (−k) = wij (k), and strictly positive, then the top band of H = Aw + Q is never flat; it consists
of an absolutely continuous spectrum.
FIG. 2. Each horizontal edge carries symmetric weight ±i, with the sign as shown (in red), while the diagonal edges carry weight 1. Two localized eigenfunctions are shown
in black and blue, corresponding to λ = 2 and λ = −2, respectively. Here, σ( H) = {±2}.
1
To our knowledge, this result was only proved rigorously in Ref. 16, Theorem 2.1 for w(u, v) = √
deg (u) deg (v)
, and also the authors of
Ref. 16 provided extra spectral information as part of their proof. We give a direct argument, which is a lot simpler and works for arbitrary
w > 0.
Proof. Suppose on the contrary that the top band is an eigenvalue λ.
Step 1. By Theorem 2.4, we may find a corresponding eigenvector ψ of finite support. Let S = supp ψ, S1 = {w ∉ S : w ∼ v, v ∈ S}, and
S2 = {w ∉ (S ∪ S1 ) : w ∼ v, v ∈ S1 } be the vertices at distances 1 and 2 from S. Let B = S ∪ S1 ∪ S2 . Since Γ is connected, for any v, v′ ∈ B,
we may find a path Pv,v′ connecting v to v′ . We take Pv,v′ to be the shortest one and fix one if there are many. Let C = B ∪ {Pv,v′ }v,v′ ∈B .
Then, the finite graph C is connected. Let ̃ ψ be the restriction of ψ to C and H C be the restriction of H to C (with Dirichlet conditions).
Then, 0 = ( H − λ)ψ(v) = (HC − λ)̃ ψ (v) if v ∈ S ∪ S1 and 0 = (HC − λ)ψ̃(v) for v ∈ C/(S ∪ S1 ) by definition of S, S1 .
Step 2. We may assume that Q has positive entries up to shifting H by cI. Then, the matrix H C is irreducible since C is connected, so it has a
Perron–Frobenius eigenvector ϕ with ϕ(v) > 0 on C. Here, λ is the top eigenvalue of H C since λ ≤ ∥HC ∥ ≤ ∥ H∥ = λ, so λ = ∥H C ∥. Since λ
is simple for H C and (HC − λ)ψ ̃ = 0, we get ̃ ψ = ϕ.
We showed that ψ(v) has only non-negative entries. Finally, take v ∈ S1 . Then, 0 = λψ(v) = Hψ(v), implying that ψ(w) = 0 for all w ∼ v.
Progressively, as Γ is connected, we deduce that ψ ≡ 0, a contradiction. ◻
Theorem 2.7 is no longer true if the edges of Γ are allowed to carry Hermitian weights: the spectrum can be entirely flat in that case, as
In particular, each coefficient of zk must vanish in this case. See also Remark 7.3.
Proof. It suffices to show that if p(z) is a Laurent polynomial vanishing identically on Sd , then p(z) ≡ 0 on Cd /{0}. Take Q ∈ Nd large
so that q(z) = zQ p(z) is a polynomial in z. We show that q(z) vanishes for all z ∈ Cd .
If d = 1, then q(z) is identically zero on C, as q is holomorphic and q ≡ 0 on S.
Suppose that the claim holds in dimension d − 1 and fix zd ∈ S. Then, (z1 , . . . , zd−1 ) ↦ q(z1 , . . . , zd ) is a polynomial in
d − 1 variables vanishing on Sd−1 , so it vanishes for all (z1 , . . . , zd−1 ) ∈ Cd−1 . Say, q(z) = ∑k∈Λ αk zk for some Λ ⊂ Nd . Since q(z)
kd−1
= ∑ β(k1 ,...,kd−1 ) (zd )z1k1 ⋅ ⋅ ⋅ zd−1 is trivial, where β(k1 ,...,kd−1 ) (zd ) = ∑ αk zdkd , then β(k1 ,...,kd−1 ) (zd ) = 0 for each (k1 , . . . , kd−1 ). As
k1 ,...,kd−1 kd :(k1 ,...,kd ) ∈Λ
zd ∈ S is arbitrary, this holds for all zd ∈ S. However, each such β is a polynomial in zd . Since β vanishes on S, then it vanishes on C, so each
coefficient αk vanishes. Thus, q(z) ≡ 0 on Cd . ◻
Remark 2.9. If λ is an eigenvalue of H(θ), then the characteristic polynomial p(z; λ) must be symmetric in z±k because p(z; λ) = 0
= p(z; λ) on Sd .
Lemma 2.8 is the set of “necessary and sufficient conditions” given in Ref. 26 for H to have a flat band. The authors compute the
coefficients of zk in p(z; λ0 ) explicitly when (d = h1 = 1, ν ≤ 4), or (d ∈ {2, 3}, hi = 1, ν ≤ 3), or (d = 1, h1 ∈ {2, 3}, ν ≤ 3)and give examples
for a range of parameters that make these coefficients vanish so that a flat band appears. An example is also given for d = h1 = 1, ν = 5.
III. GENERATORS
The aim of Secs. III A and III B is to generate graphs with and without flat bands, respectively.
Theorem 3.1. Any eigenvalue of a finite graph GF can be made to appear as a flat band of a periodic graph Γ with ν = 2∣GF ∣, with eigenvector
ψ supported in V f . This choice is optimal in the sense that there exists GF and λ ∈ σ(GF ) such that λ does not arise in any periodic Γ having both
ν < 2∣GF ∣ and ψ supported in V f .
The eigenvector is explicit in the proof. Of course, this theorem is non-trivial because we consider AΓ and do not allow potentials;
otherwise, any λ ∈ R could trivially be made flat by shifting a flat band 0 with Q = λI. Before we give the proof, let us mention a consequence.
Corollary 3.2. A flat band is necessarily a totally real algebraic integer. Conversely, any totally real algebraic integer can be made to appear
as a flat band of some periodic Γ.
Recall that a totally real algebraic integer is a root of a monic polynomial with integer coefficients and real roots.
Proof. The first part follows from Theorem 2.4, as an eigenvector of compact support is also an eigenvector of a finite subgraph. The
more interesting converse follows from Theorem 3.1 and Ref. 24. ◻
Proof of Theorem 3.1. We construct Γ as shown in Fig. 3. Each vertex of the graph of Fig. 1 (right) is replaced by a copy of GF . The edges
of this new Γ consist of the old edges of each GF , plus an edge from each vertex vp ∈ GF to its copy vp′ in each neighboring GF . Hence, degΓ (vp )
= degGF (vp ) + 4. More precisely, Γ is the Cartesian product Γ = Γ0 ◻GF , where Γ0 is the infinite graph of Fig. 1, so AΓ = AΓ0 ⊗ I + I ⊗ AGF .
1
If λ ∈ σ( AGF ) with eigenvector ϕ and if f (0) = ( −1 ), f (k) = ( 00 ), k ≠ 0, is the eigenvector of AΓ0 corresponding to 0; let ψ = f ⊗ ϕ, i.e.,
ψ i (0) = ϕi on the upper GF , ψ i (0) = −ϕi on the lower GF , and ψ(k) = 0 for k ≠ 0. Then, AΓ ψ = ( AΓ0 f ) ⊗ ϕ + f ⊗ ( AGF ϕ) = 0 + λ f ⊗ ϕ = λψ.
√
Optimality follows from the examples in Sec. IV (which shows much more). In fact, the eigenvalues ± 2 of the path on three vertices do
not appear as single-cell flat bands for any Γ with ν < 6, as we see from the explicit lists. ◻
Although this generator is optimal for general GF , it can be improved for regular GF .
Proof. We add a new vertex o and attach it to each of the vertices of GF and then Z-periodize along the vertices o. See Fig. 4. Then,
⎛2 cos 2πθ 1 ⋅⋅⋅ 1
⎞
1
A(θ) = ⎜ ⎟. As GF is regular, its top eigenvector is f 1 = (1, . . . , 1); the remaining ones f i , 1 < i ≤ ∣GF ∣ corresponding to λi ,
⎜ ⋮ AGF ⎟
⎝ 1 ⎠
∣G ∣
are orthogonal to it, i.e., satisfy ∑ j=1F fij = 0. Hence, the vector ̃
f i = (0, fi )⊺ satisfies A(θ)̃
f i = λĩ
f i for each i = 2, . . . , ∣GF ∣ and all θ. ◻
Remark 3.4. In the Proof of Theorem 3.1, we can, of course, generalize the construction by replacing Γ0 by any periodic graph having
the flat band zero.
In particular, we can take the Lieb lattice or the graph in Fig. 5 (right) with the depicted eigenvector f , and if ϕ is an eigenvector of GF
for λ0 , then ψ = f ⊗ ϕ will correspond to the flat band λ0 but ψ is not supported on a single-cell. Generating such ψ seems to be of interest to
physicists. Similarly, long-range hopping (with some hi > 1) can be included by changing Γ0 .
Remark 3.5. To embed the eigenvalues of a finite graph G into an infinite periodic graph, one could consider using the more classical
procedure of graph decoration, which simply means attaching a copy of G to each vertex of a given periodic graph Γ0 , for example, Γ0 = Z.
The example in Fig. 4 (right) can be viewed as an instance of this, with G = C3 , the 3-cycle (rather than P2 if we follow our construction). It
seems, however, that this idea only works for graphs G, which have eigenfunctions of compact support, such as C3 . For example, decorating
Z with G = P2 would give an infinite comb without flat bands.
B. No flat bands
Starting from a finite GF and any Γ0 with ν = 1, such as Zd or the triangular lattice, we can construct infinitely many new graphs Γ, which
have no flat bands by considering the Cartesian product Γ = Γ0 ◻GF , as was shown in Ref. 19, Sec. 3.2 (see Fig. 6).
Another operation is to take the tensor product. Here, starting again from a graph Γ0 with ν = 1, we consider Γ = Γ0 × GF for finite GF .
However, GF must now be chosen more carefully. It suffices to have GF non-bipartite with 0 ∉ σ( AGF ). In that case, Γ will be connected with
no flat bands. See Ref. 19, Sec. 3.4.2 for more details.
Remark 4.1. The notion of a single-cell flat band depends on the choice of V f . It is a property of (Γ, V f ), rather than Γ. There is an
obvious non-uniqueness in choosing V f by shifting to Vf + ka . However, it can be more significant, as in Fig. 7. Note that changing V f also
changes I ij , as one can check from Fig. 7. Despite this “non-canonicity,” this notion is very useful to obtain some results, as we will see in this
section.
We note that one can always choose V f to be a tree (in particular, connected). The argument can be found in Ref. 16, Lemma 3.1. For
example, in this convention, one chooses V f on the left of Fig. 7. In general, the “natural” V f will not be a tree; one obtains a tree by removing
edges, passing to a spanning tree. We will not follow this convention here: our V f is arbitrary and can even be disconnected as in Fig. 7 (right).
Proof. Since N vi /{v j } = ( I i j /{v j }) ∪ (∪k≠ j I ik ), with I rs of the form {vs + na }, we see that equality holds iff I i j /{v j } = I j j ,
I ji /{vi } = I ii , and I ik = I jk for k ≠ i, j. This holds iff the statements holds for I rs , and we use (2.7) to conclude. ◻
FIG. 7. Two choices for V f are shown in red. The “obvious” choice (right) has a single cell flat band. The one on the left does not: any eigenvector of Γ will live on more than
one copy of V f .
This simple geometric condition always generates single-cell flat band 0 or −1.
Proposition 4.3. For any ν and d, if N vi /{v j } = N v j /{vi } for some i ≠ j, then AΓ has a single-cell flat band and I ij is symmetric
(−I ij = I ij ).
This flat band is λ = 0 if vi ≁ vj and −1 if vi ∼ vj . The corresponding eigenvector localized on V f can be chosen to have values +1 on vi , −1
on vj , and zero elsewhere.
Recall that 0 ∉ I ii . Equating the coefficients of z0 on both sides of each equation, we deduce that bϵ = aλ, aϵ = bλ, where ϵ = 0 if v1 ≁ v2
and ϵ = 1 if v1 ∼ v2 .
0 ϵ
If I 12 ⊆ {0}, then (4.1) implies I 11 = I 22 = ∅. Hence, A(θ) = ( ) induces a disconnected Γ. Hence, I 12 must contain nonzero terms.
ϵ 0
Then, (4.1) implies (I 12 /{0} = I 11 and b = −a) and (I 12 /{0} = −I 22 ), respectively, by looking at the coefficients of zp . This implies λ = −ϵ
and I 11 = I 22 = I 12 /{0}, where we used (2.7). Hence, N v1 /{v2 } = N v2 /{v1 } by Lemma 4.2. ◻
We next give a simple but useful observation.
Lemma 4.5. Fix (Γ, V f ). If λ is a single-cell flat band for AΓ , then λ ∈ σ( AVf ). If V f is connected, then its top eigenvalue cannot be a
single-cell flat band for Γ.
because ψ j (k) = 0 for k ≠ 0, and we denoted ϵij = 1 if vi ∼ vj and 0 otherwise. This means ψ(0) is an eigenvector of the matrix (ϵi j )νi, j=1 = AVf .
The second part is a Perron–Frobenius argument as in Theorem 2.7, step 2. ◻
Before we move on to ν > 2, it will be helpful to have more criteria to eliminate eigenvalues of finite graphs instead of studying case by
case. We have the following general result, which strengthens Lemma 4.5.
Theorem 4.6. Let ∣V f ∣ = ν. If λ is a single-cell flat band for AΓ , with eigenvector ψ, then λ ∈ σ( AVf ), and there exist δi ∈ {0, 1},
i = 1, . . . , ν, not all zero, such that ∑νi=1 δi ψi = 0.
FIG. 8. Graphs with flat band λ = 0, with all Irs symmetric (left) and I13 , I23 non-symmetric (right).
Conversely, if λ ∈ σ( AVf ) and there exist δi ∈ {0, 1}, i = 1, . . . , ν, not all zero such that ∑νi=1 δi ψi = 0, then λ ∈ F sν , as long as Vf is
connected.
The connectedness of Vf is not necessary, a weaker assumption suffices, and we will need this in Corollary 4.7. The connectedness
condition cannot be completely dropped, however: there are λ ∈ σ( AVf ) that satisfy ∑νi=1 δi ψi = 0 without being flat [take, e.g., Vf = G4 in
Example 4.8 below, λ = 1, δ = (0, 0, 1)].
The condition ∑νi=1 δi ψi = 0 greatly generalizes some old procedures of constructing flat bands by starting from a finite connected graph
GF and an eigenfunction, which has a zero in GF . It is clear in that case that one can periodize GF along this vanishing vertex and obtain a flat
band by extending ψ by zero. This corresponds to the very special case where δi = 0 for all i except the vanishing vertex i0 , where δi0 = 1.
Proof. Suppose that λ is a single-cell flat band with eigenvector ψ. We saw in Lemma 4.5 that AVf ψ = λψ. It follows from Proposition 2.6
that ψ is an eigenvector of A(θ) for all θ. Let z j = e2πiθ j . We write A(z) = AVf + B(z), where B(z) is the matrix of bridges from Vf to its
neighboring copies [i.e., in (2.6), hi j (z) = ϵi j + ∑k ∈Iij /{0} zk , the first term is the entry in AVf and the second term is the entry in B(z)].
Now, A(z)ψ = λψ for all z, so ( AVf + B(z))ψ = λψ for all z. Since AVf ψ = λψ, it follows that B(z)ψ = 0 for all z.
Denote the entries of B(z) by bij (z). Then, for all i, ∑νj=1 bi j (z)ψ j = 0. If B(z) = 0, then A(z) = AVf and Γ is a disconnected direct sum
of copies of Vf . Hence, there exist i, r such that bir (z) ≠ 0. Say, 0 ≠ k ∈ I ir . Fixing i, k, let δj be the coefficient of zk in bij (z). Then, δr = 1. On
Proof. Let λ ∈ F sν , with Γ-eigenvector ψ on V f . By Theorem 4.6, we know that there are δj , j = 1, . . . , ν, with ∑νj=1 δj ψ j = 0. Consider
the disjoint union V ′f = Vf ⊔ {vν+1 }. Let ψ̃ j = ψ j on Vf and ψ̃ ν+1 = 0. Then, AV ′f ψ̃ = λψ̃. Define δ′ by δ′j = δ j for vj ∈ Vf and δν+1
′
= 1. Then,
ν+1 ′ ′ ′
∑ j=1 δ j ψ̃ j = 0. Here, V f is disconnected, so we cannot directly apply the converse in Theorem 4.6. However, this is why we chose δν+1 = 1.
′
In fact, we know we started from a connected Γ. To show that the graph Γ induced by A(z) = AV ′f + B(z) is connected, where B(z) is
constructed as in Theorem 4.6 using δ′ , we only need to show that vν+1 is connected to V f and vν+1 + 1a . By construction of B(z) (and the
′
choice δν+1 = 1), we know that there is a bridge from vν+1 to some vertex in Vf ± 1a and hence to any vertex in Γ. This also means that there
is a bridge from vν+1 ± 1a to Γ and hence from vν+1 to vν+1 + 1a . Thus, Γ′ is connected and λ is flat for Γ′ , which has ν + 1 vertices in its Vf′ . ◻
Proposition 4.4 characterizes F s2 as those satisfying the neighborhood condition. Interestingly, this is no longer true for ν = 3, although
we get the same flat bands.
Example 4.8. Let ν = 3. We apply our results so far to show that the following holds.
(1) F s3 = {0, −1}.
(2) Each of these single-cell bands can appear with multiplicity one or two, but they cannot appear together.
(3) Single-cell flat bands may exist even if N vi /{v j } ≠ N v j /{vi } for all i, j.
To see that 0 can appear with multiplicity 2, consider A(θ) = (aij (θ)) with aij (θ) = 2 cos 2πθ for all i, j. Similarly, −1 appears
with multiplicity 2 if A(θ) = (aij (θ)) with aii (θ) = 2 cos 2πθ and aij (θ) = 1 + 2 cos 2πθ for all i ≠ j. Both cases have the eigenvectors
(−1, 1, 0)⊺ , (−1, 0, 1)⊺ independent of θ and yield connected Γ.
Examples where 0 and −1 appear as flat bands of multiplicity one for A(θ) are given in Fig. 8 (left) and Fig. 4 (right), respectively.
We now show that there are no more bands in F s3 . By Lemma 4.5, if λ ∈ F s3 , then it is an eigenvalue of one of the graphs in Fig. 9.
The corresponding eigenvalues and eigenvectors are
We can refine Corollary 4.7 by describing more precisely how F sν+1 differs from F sν .
where λ ∈ Cν+1 implies that λ ∈ σ( AVf ) for a connected graph on ν + 1 vertices or a disconnected graph Vf = V 1f ⊔ V 2f such that V if are
connected, ∣V 1f ∣ = ∣V 2f ∣ = ν+1
2
, and λ ∈ σ( AV 1 ) ∩ σ( AV 2 ).
f f
The set Cν+1 can be empty.
In particular, if ν + 1 is odd, only connected graphs on ν + 1 vertices may contribute new flat bands in F sν+1 .
Besides its theoretical input, the purpose of Theorem 4.9 is to eliminate the disconnected graphs from consideration. For example, for
ν = 5, this reduces the analysis from 34 graphs to 21 graphs. Let us clarify that disconnected graphs on ν + 1 vertices do contribute flat bands.
We are just saying that the flat bands they produce are old ones in F sν , with the exception of having V f precisely partitioned into two equal
parts. This last scenario is in harmony with our recipe, Theorem 3.1.
Proof of Theorem 4.9. Let λ ∈ F sν+1 / F sν . Then, λ ∈ σ( AVf ) for some graph V f on ν + 1 vertices. Suppose that V f is disconnected,
Vf = ⊔ri=1 V i , for some connected V i , so ∣V i ∣ ≤ ν. Then, σ( AVf ) = ∪ri=1 σ( AV i ). We claim that if ∣V i ∣ < ν+1
2
, then λ ∉ σ( AV i ). Indeed, if
λ ∈ σ( AV i ), then Theorem 3.1 and Corollary 4.7 would imply λ ∈ F s2∣V i ∣ ⊆ F sν , a contradiction.
If ∣V i ∣ < ν+1
2
for all i, we get a contradiction. If not, we may assume ∣V 1 ∣ ≥ ν+1
2
. Then, either ∣V i ∣ < ν+1
2
for all other i or V f = V 1 ⊔ V 2 with
1 2 ν+1
∣V ∣ = ∣V ∣ = 2 . In the latter case, if λ ∈ σ( AV 1 ) ∩ σ( AV 2 ), then we are done. Therefore, suppose that λ ∉ σ( AV 2 ). Then, in all cases, we are
in a situation where λ ∈ σ( AV 1 ) and λ ∉ σ( AV i ) for i > 1.
Now, since λ ∈ F sν+1 , we know by Theorem 4.6 that for the corresponding ψ, we may find δi ∈ {0, 1} not all zero such that ∑ν+1 i=1 δi ψi = 0.
Denote ψ = (ψ (1) , . . . , ψ (r) ) for the components of ψ over V i . Then, for v ∈ V k , we have Aψ (k) (v) = Aψ(v) = λψ(v) = λψ (k) (v). Since
λ ∉ σ( AV k ) for k > 1, we must have ψ (k) = 0 for k > 1.
So far, all flat bands have been {0, −1}, so integers are nonpositive. Interestingly, if ν = 4, the flat band can be positive and irrational.
Example 4.10. The set of single-cell flat bands for ν = 4 and ν = 5 is the same, with
√ √
s −1 + 5 −1 − 5
F 4 = {0, 1, −1, −2, , } = F s5. (4.3)
2 2
The fact that F s5 does not bring any new flat bands is quite remarkable, as there is a total of 34 graphs on five vertices, which, in principle,
could provide some.
To prove (4.3), we simply apply Theorem 4.6 to the subset of graphs that Theorem 4.9 tells us to consider. This, however, requires the
tables of eigenvalues and eigenvectors of graphs on four, five vertices; we provide this in the Appendix.
We showed that
∅ = F s1 ⊂ F s2 = F s3 ⊂ F s4 = F s5 (4.4)
and ∪ν F sν is the set of all totally real algebraic integers. It would be interesting to know if (4.4) is a general fact or a coincidence, i.e., do we
always have F s2k+1 = F s2k ? This would avoid the whole discussion in Subsection 2 of the Appendix. In view of Theorem 4.9, we may state the
question equivalently as follows: is it true that the connected graphs on 2k + 1 vertices only offer flat bands in F s2k ? In other words, do the
eigenvectors of such graphs corresponding to “new” eigenvalues never satisfy ∑ν+1 j=1 δ j ψ j = 0, δj ∈ {0, 1}, except when δj = 0 for all j?
To conclude, let us mention that there exist flat bands beyond single-cells even in the nearest-neighbor hopping case, as shown in Fig. 5.
For the graph in Fig. 5 (left), −2 is not even an eigenvalue of a graph on three vertices. This is because I 12 is not symmetric. When
all hopping are symmetric, such as in Fig. 5 (right), then the flat band is necessarily an eigenvalue of V f if d = h1 = 1. This is because the
⎧
⎪ kmax (r) = max I11 (r),
⎪ k′max (r) = max I22 (r),
⎨
⎩ pmax (r) = max I12 (r), pmin (r) = min I12 (r).
⎪
⎪
p
0 ϵz
In fact, if I 11 = I 22 = ∅, then kmax (r) + k′max (r) = 0 = pmax (r) − pmin (r) for each r, so I 12 = {p} or I 12 = ∅, i.e., A(z) = ( −p ) for ϵ ∈ {0, 1}
ϵz 0
and Γ is disconnected. Hence, I 11 or I 22 is nonempty, and since each is symmetric without 0, each has even cardinality.
Expand the characteristic polynomial,
⎛ ′⎞ ′ ′
p(z; λ) = λ2 − ∑ zk + ∑ zk λ + ∑ zk+k − ∑ zp−p . (5.4)
⎝k∈I11 k′ ∈I22 ⎠ k∈I11 p,p′ ∈I12
′
k ∈I22
√
Lemma 5.1. If AΓ has a flat band λ, then λ = ± ∣I12 ∣ − ∣I11 ∩ I22 ∣ ∈ Z.
Proof. Let λ be a flat band. By Lemma 2.8, the coefficient of z0 in (5.4) vanishes identically. Since 0 ∉ I ii , this coefficient is precisely
2
λ + ∣I 11 ∩ I 22 ∣ − ∣I 12 ∣. Indeed, it comes from taking, for each k ∈ I 11 , a corresponding k′ ∈ I 22 with k′ = −k and taking, for each p ∈ I 12 , a cor-
responding p′ = p. The latter has cardinality ∣I 12 ∣. For the former, if k′ = −k, then since I 11 is symmetric, we get k′ ∈ I 11 , so k, k′ ∈ I 11 ∩ I 22 .
Conversely, for each k ∈ I 11 √ ∩ I 22 , there is a corresponding k′ = −k contributing to the coefficient.
We showed that λ = ± ∣I12 ∣ − ∣I11 ∩ I22 ∣. Finally, since p(z; λ) ≡ 0 and the double sums in (5.4) have coefficients ±1, then λ must be an
integer. ◻
√
∣I11 ∣+∣I22 ∣− (∣I11 ∣−∣I22 ∣)2 +4∣I12 ∣2
Lemma 5.2. If λ is a flat band, we also have λ = 2
.
√
2 2 ∣I11 ∣+∣I22 ∣± (∣I11 ∣+∣I22 ∣)2 −4∣I11 ∥I22 ∣+4∣I12 ∣2
Proof. Consider z = 1 in (5.4). This yields λ − λ(∣I 11 ∣ + ∣I 22 ∣) + ∣I 11 ∥I 22 ∣ − ∣I 12 ∣ = 0. Hence, λ = 2
√
∣I11 ∣+∣I22 ∣± (∣I11 ∣−∣I22 ∣)2 +4∣I12 ∣2
= 2
.
√
(∣I11 ∣−∣I22 ∣)2 +4∣I12 ∣2
Using (5.3), ∣I 11 ∣ + ∣I 22 ∣ ≠ 0. If the + sign occurs in λ, then λ > 2
≥ ∣I12 ∣. This contradicts Lemma 5.1, so the sign must be
negative.
Lemma 5.3. If ν = 2, then AΓ has no flat bands if any of the following holds:
(i) kmax (r) + k′max (r) ≠ pmax (r) − pmin (r) for some r.
(ii) ∣I 12 ∣ = 1.
(iii) I 11 = ∅ or I 22 = ∅.
For example, the honeycomb lattice has I ii = ∅ and no flat bands. Note that this is not true for ν > 2. The graph in Fig. 4 (right) has
I 11 = I 22 = ∅ but has a flat band. The graph in Fig. 12 has I ii = ∅ for all i, but has flat bands.
Proof. We proved (i) in (5.2). For (ii), if Γ has a flat band and ∣I 12 ∣ = 1, then by (5.2), kmax (r) + kmin (r) = 0, so I 11 = I 22 = ∅, contradicting
(5.3). Thus, Γ has no flat bands.
For (iii), suppose on the contrary that λ is flat. By (5.3), I 11 and I 22 cannot both be empty, so we may assume, by symmetry, that I 11 ≠ ∅
and I 22 = ∅. ′
Then, λ2 − λ∑k ∈I11 zk = ∑p,p′ ∈I1,2 zp−p for all z. On the RHS, if d = 1, then the highest power pmax − pmin appears only once. In general, the
maximum power in lexicographic order appears only once. More precisely, we choose the power n with highest pmax (1) − pmin (1). This will,
in general, be a set of powers. Among these elements, we choose the one with highest pmax (2) − pmin (2) and so on. Then, the coefficient of zn
is 1, and we must have λ = −1 on the LHS.
However, by Lemma 5.1, λ2 = ∣I 12 ∣, so ∣I 12 ∣ = 1. This contradicts (ii). ◻
FIG. 11. Flat band λ = −2 with localized eigenvector on five cells (in red). The edge colors are only there to slightly improve visibility.
3 −3 −1 2 −2
z +z z+z +z +z
The answer is no. In fact, take I 11 = {±3}, I 22 = {±1}, and I 12 = {±1, ±2}, so A(z) = ( −1 2 −2 −1 ). Then, we have a flat
z+z +z +z z+z
−1
−2 − z − z
band λ = −2 corresponding to the eigenvector ( −1 2 −2 ). Using the recipe in Proposition 2.6, we construct a corresponding eigenvector
z+z +z +z
for Γ in Fig. 11.
In contrast to the single-cell case, here, −2 is not an eigenvalue of a graph on two vertices.
FIG. 12. The 1d pyrochlore is preserved by the symmetry v 1 ↔ v 2 , v 3 ↔ v 4 . Vertices outside V f are kept fixed. We colored the edges to show their position after performing
the symmetry, but they carry no weight.
If Γ has a symmetry preserving it as in Fig. 12, then (6.1) must be satisfied because if k ∈ I ij /{0}, then vi ∼ v j + ka , so after the symmetry,
since v j + ka stays fixed, we must have vϕ(i) ∼ v j + ka , i.e., k ∈ I ϕ(i),j /{0}. Similarly, I ϕ(i),j /{0} ⊆ I ij /{0} since ϕm = id for some m. On the other
hand, if ϵi,j = 1, then vi ∼ vj , so after performing the symmetry, we should have vϕ(i) ∼ vϕ( j) and vice versa.
In particular, the ladder does not satisfy this condition under v1 ↔ v2 since I 11 = I 22 = {±1}, while I 12 = {0} = I 21 . However, the
pyrochlore satisfies it under ϕ(v1 ) = v2 , ϕ(v2 ) = v1 , ϕ(v3 ) = v4 , and ϕ(v4 ) = v3 . Here, I ii = ∅ for all i, I 12 = I 34 = {0}, I 13 = I 24 = {−1},
I 14 = I 23 = {0, −1}, and I ji = −I ij for the rest as usual. In addition, ϵ12 = ϵ14 = ϵ21 = ϵ23 = ϵ32 = ϵ34 = ϵ43 = 1; the rest are zero. One checks that,
indeed, (6.1) is satisfied.
We have shown that if Γ is preserved by a symmetry, then it is necessary for (6.1) to be satisfied. We now show that (6.1) is enough to get
some flat bands. Actually, a weaker condition on ϵij suffices; see Remark 6.6.
We first note that this symmetry concept is a generalization of the neighborhood condition that we discussed before.
Lemma 6.1. We have N vi /{v j } = N v j /{vi } iff (6.1) is satisfied for the permutation ϕ(vi ) = vj , ϕ(vj ) = vi , ϕ(vr ) = vr for r ≠ i, j.
Let bi j (θ) = ∑Iij /{0} e2πik⋅θ . Then, hij (θ) = ϵij + bij (θ). Condition (6.1) entails that the column of each block Dst (θ) has a fixed dependence
on θ. Indeed, I ij /{0} = I ϕ(i),j /{0} = I i+1,j /{0} by the cycle structure, where i + 1 ∶= ks−1 + 1 if i = ks . Hence, bij (θ) = bi+1,j (θ) as asserted for
i = ks−1 + 1, . . . , ks and j = kt−1 + 1, . . . , kt . The same holds for Dts (θ), so we get bji (θ) = bj+1,i (θ) for j = kt−1 + 1, . . . , kt and i = ks−1 + 1, . . . , ks .
However, h ji = hij , so b ji = bij . Thus, bi j = bji = bj+1,i = bi, j+1 . This shows that the rows have the same θ dependence. Thus, all entries of Dst (θ)
take the form bi0 j0 (θ) + ϵi j for some fixed i0 , j0 .
It remains to show that Cst = (ϵij ) is circulant. Condition (6.1) says that ϵij = ϵi+1,j+1 in each block, that is, diagonals are constant and we
have a Toeplitz structure. However, Cst is, in fact, circulant using ϵi,kt = ϵi+1,kt−1 +1 and ϵks , j = ϵks−1 +1, j+1 . ◻
Theorem 6.3. Under the assumptions of Lemma 6.2, Γ has at least ν − r single-cell flat bands.
Proof. Let A(θ) = (Di j (θ))i, j≤r be in the block structure provided by Lemma 6.2. Consider the partition {X 1 , . . . , X r } of V f induced by
ϕ, where X j contains the elements of the jth cycle. It follows from Lemma 6.2 that
r
Colk (A(θ)) = ∑ bik (θ)1Xi + Ck , (6.2)
i=1
where Ck is a column vector independent of θ and bik = bik′ if k, k′ are in the same block.
Let Yi = √1 1Xi for i = 1, . . . , r. Clearly, Y i ’s are orthonormal. Complete this with Y i , i = r + 1, . . . , ν, as an orthonormal basis of ℓ2 (V f ).
∣Xi ∣
We now write A(θ) in the basis {Yi }νi=1 ; in other words, the matrix elements become aij = ⟨Y i , A(θ)Y j ⟩.
Let W be the subspace generated by Y 1 , . . . , Y r . Then, W is invariant under A(θ). In fact, if v ∈ X i , then (A(θ)1X j )(v) = ∑p ∈X j A(θ)v,p is
the vth row sum of the block Dij (θ), which is equal to some dij (θ) independent of v since Dij (θ) is circulant. Thus, A(θ)1X j = ∑ri=1 di j (θ)1Xi
∈ W as required.
It follows that W is invariant as well. Hence, ⟨Y i , A(θ)Y j ⟩ = 0 for (i ≤ r ∧ j > r) or (i > r ∧ j ≤ r), i.e., A(θ) takes a block-diagonal form
of sizes r and ν − r, respectively, in the basis {Yk }k≤ν and σ(A(θ)) is the union of the respective spectra. The eigenvectors ϕp of the submatrices
are also eigenvectors ϕ̃p for A(θ) if we extend ϕp by zero.
Since M f = ∑m ν
k=1 f (k)Colk (M)for an m × m matrix M, then for i, j > r, we have by (6.2), ⟨Yi , A(θ)Y j ⟩ = ∑k=1 Y j (k)⟨Yi , Colk (A(θ))⟩
= ∑νk=1 Y j (k)⟨Yi , Ck ⟩ = ⟨Yi , CY j ⟩. As the submatrix (⟨Yi , CY j ⟩)i, j>r is independent of θ, so are its eigenvalues and eigenvectors {μp , ϕp }ν−r
p=1 .
Now, the matrix A(θ) in the basis {Y k } is Ã(θ) = Y ∗ A(θ)Y, where Y is the unitary matrix of columns Y k . We showed that Ã(θ)ϕ̃p = μp ϕ̃p ,
so A(θ)Y ϕ̃p = μp Y ϕ̃p for all θ, and Y ϕ̃p = ∑k>r ϕ̃p (k)Yk is independent of θ. Therefore, μp is of single-cell type. ◻
1 1 1
Example 6.4. The graph in Fig. 12 has ϕ = (12)(34), Y1 = √
2
(1, 1, 0, 0), Y2 = √
2
(0, 0, 1, 1), Y3 = √
2
(1, −1, 0, 0), and Y4 =
1
√
2
(0, 0, 1, −1), so
and we get the flat bands {−2, 0}. The eigenvectors are given by Y ϕ̃1 = Y3 + Y4 , Y ϕ̃2 = Y3 − Y4 for ϕ1 = ( 11 ), ϕ2 = ( −1
1
). The estimate
ν − r = 2 is exact here.
Example 6.5. The graph corresponding to the Floquet matrix at the end of Example 4.8 has a single-cell flat band λ = 0, which is not
induced by any symmetry discussed in this section. In fact, since we showed that it does not satisfy the neighborhood condition, this excludes
Remark 6.6. Condition (6.1) on ϵij means that ϕ : V f → V f is a graph automorphism. We saw in Lemma 6.2 that this implies the blocks
are circulant. However, in Theorem 6.3, we only used the weaker property that each block has a constant row sum. In particular, we can
recover Proposition 3.3 by considering ϕ to be cyclic on GF and fixing o so that ν = ∣GF ∣ + 1 and r = 2. In general, keeping the condition on
I ij /{0}, for ϵij , we only need the cycles of ϕ to induce an equitable partition on V f . That is, each cell forms a regular subgraph (Css have
constant row sum) and all vertices in a given cell s have the same number of edges to the cell t (so Cst have constant row sum). There can be
no edges at all, whether within the cell or between different cells.
Compared to Ref. 23, our cells can be of arbitrary sizes; we do not need ϕ to be “basic of order k.” In addition, Ref. 23 needs some sites
in V f to be fixed by ϕ, as the corresponding eigenvectors vanish on them, and this allows them to connect the copies of V f using these points
[Ref. 23, Eq. (19) and Sec. III B]. Our argument does not need any vertex to be fixed by ϕ.
We saw in Lemma 6.1 that the permutation invariance in this section generalizes the concept of having two vertices sharing the same
neighbors, a criterion we had before. A different generalization is to continue to look at only two vertices, which can now be far apart, but
have the same number of walks to a given subset of V f . This idea is explored in Ref. 20 and is shown to yield flat bands as well.
Now, p(z; Q, λ) is a Laurent polynomial in z, and it is also polynomial in Q1 , . . . , Qν , λ. We expand p(z; Q, λ) = ∑r∈Λ pr (Q, λ)zr , where
Λ is a finite subset of Zd determined by ν, d, and I ij , i, j ≤ ν. Then, the Laurent polynomial p(z; Q, λ) vanishes for all z iff each coefficient of zr
vanishes. Each pr (Q, λ) is a polynomial in (Q1 , . . . , Qν , λ). Hence,
ν+1
PΓ = π1 {(Q, λ) ∈ R : pr (Q, λ) = 0 ∀r ∈ Λ}
Proof. Here,
′ ′ ′
p(z; Q, λ) = ∑ ∑ zk+k + (Q1 − λ) ∑ zk + (Q2 − λ) ∑ zk + (Q1 − λ)(Q2 − λ) − ∑ zp−p ,
k∈I11 k′ ∈I22 k′ ∈I22 k∈I11 p,p′ ∈I12
Remark 7.3. It is worthwhile to note that if there exists a coefficient pr (Q, λ) = m ≠ 0 independent of (Q, λ), then PΓ = ∅. This was
−1 −1
Q1 1 + z1 + z2
mentioned in the previous proof and holds for any ν. A simple example is the honeycomb lattice H(z) = ( ).
1 + z1 + z2 Q2
This does not follow from Lemma 7.1 as the projection of an algebraic variety may not be closed, e.g., π1 {(x, y) ∈ R2 : xy − 1 = 0}
= R/{0}.
Proof. Let {Q(n) } ⊂ PΓ , Q(n) → Q ∈ Rν . Then, for each n, AΓ + Q(n) has a flat band. Hence, there exists λn = λ(Γ, Q(n) ) such that
det(A(θ) + Q(n) − λn ) = 0 for all θ ∈ Td∗ .
As Q(n) converges in Rν , it is bounded, ∥Q(n) ∥∞ ≤ c, so AΓ + Q(n) is uniformly bounded; in particular, {λn } is a bounded sequence. Let
(λnk ) be a subsequence converging to some λ∗ . Since Q(nk ) → Q and λnk → λ∗ , we have for any fixed θ: det (A(θ) + Q(nk ) − λnk ) → det (A(θ)
+ Q − λ∗ ) because the determinant is a polynomial in Q(nk ) and λnk . However, we know det (A(θ) + Q(nk ) − λnk ) = 0 for all nk and all θ.
Hence, for any θ ∈ Td∗ , we have det(A(θ) + Q − λ∗ ) = 0. This shows that AΓ + Q has a flat band, i.e., Q ∈ PΓ . ◻
Proposition 7.5. For any d, ν > 1, there exists Γ such that PΓ ⊇ {Q ∈ Rν : Q1 = Q2 }, and thus, dim PΓ ≥ ν − 1.
Proof. Take Γ with N v1 /{v2 } = N v2 /{v1 } and add Q = (Q2 , Q2 , Q3 , . . . , Qν ) with Qi arbitrary for i ≥ 2. Then, (2.6) takes the form H(θ) =
h11 (θ) + Q2 h11 (θ) + ϵ gθ
⎛ ⎞
h11 (θ) + ϵ h11 (θ) + Q2 gθ for g θ = (h13 (θ), . . . , h1ν (θ)). Clearly, (1, −1, 0, . . . , 0)⊺ is an eigenvector with eigenvalue λ = Q2 − ϵ for all θ.◻
⎝ g∗ ∗
gθ
′
H (θ)⎠
θ
FIG. 14. Here, ν = 2, AΓ has no flat bands, but AΓ + Q has the flat band λ = −2 if Q = −1 on the upper row and Q = 0 on the lower row.
It was conjectured in Ref. 15, P. 590–591 that if we perturb AΓ by a potential Q such that Q1 < Q2 < ⋅ ⋅ ⋅ < Qν , then AΓ + Q has no flat
bands. This is not true because such potentials can create flat bands if AΓ has no flat bands, as the example in Fig. 14, taken from Ref. 9, shows.
−2πiθ
−1 1+e
Here, H(θ) = ( 2πiθ ).
1+e 2 cos 2πθ
Still, this conjecture is almost true for ν = 2: we showed in Lemma 7.2 that for any Γ, there exists c such that PΓ ⊆ {Q ∈ R2 : Q1 = Q2 + c}.
⎛c c c
⎞ Q1 +Q2
However, it is wrong for higher ν. For example, for A(θ) = c c c with c = 2 cos 2πθ, we have the flat band λ = 2
for all perturbations
⎝c c 0⎠
of the form (Q1 , Q2 , Q1 +Q2
2
). The same holds for the Laplacian D − A(θ), with D = Diag(6, 6, 4) being the degree matrix, where flat bands
occur for all (Q1 , Q2 , Q1 +Q
2
2
+ 2).
DEDICATION
Dedicated to Abel Klein on the occasion of his 75th birthday.
AUTHOR DECLARATIONS
Conflict of Interest
The authors have no conflicts to disclose.
DATA AVAILABILITY
The data that support the findings of this study are available within the article.
FIG. 15. All connected graphs and the relevant disconnected graph.
G1 3, −1, −1, −1, −1 (1, 1, 1, 1), (−1, 0, 0, 1), (−1, 0, 1, 0), (−1, 1, 0, 0)
′ ′
G2 α, 0, −1, α′ ( α2 , 1, α2 , 1), (0, −1, 0, 1), (−1, 0, 1, 0), ( α2 , 1, α2 , 1)
G3 2, 0, 0, −2 (1, 1, 1, 1), (0, −1, 0, 1), (−1, 0, 1, 0), (−1, 1, −1, 1)
G4 √1 , β2 , −1,√
β β3 (κ1 , κ1√, β1 , 1), (κ2 , κ2 , β2 , 1), (−1, 1, 0, 0), (κ3 , κ√ 3 , β3 , 1)
G5 3, 0, 0, − 3 (1, 1, 3, 1), (−1, 0, 0, 1), (−1, 1, 0, 0), (1, 1, − 3, 1)
G6 σ1, σ2, σ3, σ4 (1, σ 1 , σ 1 , 1), (−1, σ 3 , σ 2 , 1), (1, σ 3 , σ 3 , 1), (−1, σ 1 , σ 4 , 1)
G7 1, 1, −1, −1 (0, 0, 1, 1), (1, 1, 0, 0), (0, 0, −1, 1), (−1, 1, 0, 0)
√ √
−1− 5 5−1
FIG. 16. Flat bands σ4 = 2
(left) and σ2 = 2
(right).
If we remove the middle vertical links in Fig. 16 between v2 and v3 , we obtain the flat bands −1 and 1, corresponding to (−1, 1, −1, 1)⊺
and (−1, −1, 1, 1)⊺ . Here, V f = G7 .
√ √
−1− 5 −1+ 5
FIG. 18. Flat bands λ = 2
(left) and λ = 2
(right).
H1 4, −1, −1, −1, −1 (1, 1, 1, 1, 1), (−1, 0, 0, 0, 1), (−1, 0, 0, 1, 0), (−1, 0, 1, 0, 0), (−1, 1, 0, 0, 0)
H2 3, 0, 0, −1, −2 (3, 2, 3, 2, 2), (0, −1, 0, 0, 1), (0, −1, 0, 1, 0), (−1, 0, 1, 0, 0), (−1, 1, −1, 1, 1)
H3 2, 0, 0, 0, −2 (2, 1, 1, 1, 1), (0, −1, 0, 0, 1), (0, −1, 0, 1, 0), (0, −1, 1, 0, 0), (−2, 1, 1, 1, 1)
H4 2, σ 2 , σ 2 , σ 4 , σ 4 (1, 1, 1, 1, 1), (σ 2 , σ 3 , −1, 0, 1), (−1, σ 3 , σ 2 , 1, 0), (−1, σ 1 , σ 4 , 1, 0), (σ 4 , σ 1 , −1, 0, 1)
′ ′ ′ ′
H5 √a, 0, a , −1, −1 √ √ (ã, ã,√ã, 1, 1), (0, 0, 0, −1, 1), (ã , ã , ã , 1, 1), (−1, 0, 1, 0, 0), (−1, √ 1, 0, 0, 0)√
H6 3, 1, 0, −1, − 3 (1, 3, 2, 3, 1), (−1, −1, 0, 1, 1), (1, 0, −1, 0, 1), (−1, 1, 0, −1, 1), (1, − 3, 2, − 3, 1)
H7 b, 0, 0, b′ , −2 (−b′ , 1, 1, 1, 1), (0, 0, −1, 0, 1), (0, −1, 0, 1, 0), (−b, 1, 1, 1, 1), (0, −1, 1, −1, 1)
H8 α, 1, −1, −1, α′ √
(−α ′
, 1,√1, 1, 1), (0, −1, −1, 1, 1), (0, 0, 0, −1, 1), (0, −1, 1, 0, 0), (−α, √
1, 1, 1,√1)
√ √
H9 6, 0, 0, 0, − 6 ( 2 , 1, 1, 2 , 1), (0, −1, 0, 0, 1), (−1, 0, 0, 1, 0), (0, −1, 1, 0, 0), ( 2 , 1, 1, − 2 6 , 1)
6 6 − 6
′
H 10 c, 0, σ 2 , c , σ 4 (c, 2, c, 1, 1), (0, −1, 0, 1, 1), (σ 2 , 0, σ 3 , −1, 1), (c′ , 2, c′ , 1, 1), (σ 4 , 0, σ 1 , −1, 1)
H 11 d1 , d2 , −1, −1, d3 (d1 , d1′ , d1′ , d1′ , 1), (d2 , d2′ , d2′ , d2′ , 1), (0, −1, 0, 1, 0), (0, −1, 1, 0, 0), (d3 , d3′ , d3′ , d3′ , 1)
H 12 e1 , e2 , 0, −1, e3 (h1 , i1 , i1 , h1 , 1), (h2 , i2 , i2 , h2 , 1), (−1, 0, 0, 1, 0), (0, −1, 1, 0, 0), (h3 , i3 , i3 , h3 , 1)
H 13 j1 , j2 , 0, −1, j3 (k1 , ℓ1 , ℓ1 , k1 , 1), (k2 , ℓ2 , ℓ2 , k2 , 1), (−1, 0, 0, 1, 0), (0, −1, 1, 0, 0), (k3 , ℓ3 , ℓ3 , k3 , 1)
H 14 m1 , m2 , −1, −1, m3 (n1 , 1, p1 , p1 , 1), (n2 , 1, p2 , p2 , 1), (0, −1, 0, 0, 1), (0, 0, −1, 1, 0), (n3 , 1, p3 , p3 , 1)
H 15 q1 , q2 , 0, q3 , −2 (r1 , 1, s1 , s1 , 1), (r2 , 1, s2 , s2 , 1), (0, −1, −1, 1, 1), (r3 , 1, s3 , s3 , 1), (0, −1, 1, −1, 1)
H 16 t1 , σ 2 , t2 , t3 , σ 4 (u1 , 1, v1 , v1 , 1), (0, −1, σ 3 , σ 2 , 1), (u2 , 1, v2 , v2 , 1), (u3 , 1, v3 , v3 , 1), (0, −1, σ 1 , σ 4 , 1)
H 17 w1 , 1, w2 , −1, w3 (x1 , y1 , y1√ , z1 , 1), (0, −1, −1, 2, √2), (x2 , y2 , y2 , z2 , 1), (0, −1, 1, 0,√ 0), (x3 , y3 , y3 , z3 ,√1)
H 18 ζ 1 , ζ 2 , 0, ζ 3 , ζ 4 (1, ζ1 , 1, ζ2 , 2), (1, ζ2 , 1, ζ4 , − 2), (−1, 0, 1, 0, 0), (1, ζ3 , 1, ζ1 , − 2), (1, ζ4 , 1, ζ3 , 2)
H 19 η1 , η2 , 0, η3 , η4 (η1 , μ1 , ξ 1 , μ1 , 1), (η2 , μ2 , ξ 2 , μ2 , 1), (0, −1, 0, 1, 0), (η3 , μ2 , ξ 3 , μ2 , 1), (η4 , μ1 , ξ 4 , μ1 , 1)
H 20 Ϛ1 , Ϛ2 , 0, Ϛ3 , Ϛ4 (Ϛ1 , ϕ1 , τ 1 , ϕ1 , 1), (Ϛ2 , ϕ2 , τ 2 , ϕ2 , 1), (0, −1, 0, 1, 0), (Ϛ3 , ϕ3 , τ 1 , ϕ3 , 1), (Ϛ4 , ϕ4 , τ 2 , ϕ4 , 1)
H 21 χ 1 , χ 2 , χ 3 , −1, χ 4 (χ 1 , ψ 1 , ω1 , ψ 1 , 1), (χ 2 , ψ 2 , ω2 , ψ 2 , 1), (χ 3 , ψ 3 , ω3 , ψ 3 , 1), (0, −1, 0, 1, 0), (χ 4 , ψ 4 , ω4 , ψ 4 , 1)
TABLE IV. Equations satisfied by the parameters and their approximate values.
√ √ √ √ √ √
Notation in Table III, as mentioned before, σ1 = 1+2 5 , σ2 = −1+2 5 , σ3 = 1−2 5 , σ4 = −1−2 5 , α = 1+ 2 17 , and α′ = 1− 2 17 . In addition,
√ √ ′ √ √ √ √ √ √ √ √
a = 1 + 7, a′ = 1 − 7, ã = a3 , ã ′ = a3 , b = 1 + 5, b′ = 1 − 5, c = 1+ 2 13 , and c′ = 1− 2 13 . Next, ζ1 = 2 + 2, ζ2 = 2 − 2, ζ 3 = −ζ 2 , and
√ √ √ √ √ √ √ √ √ √
ζ 4 = −ζ 1 . Next, η1 = 5+ 2 17 , η2 = 5− 2 17 , η3 = −η2 , η4 = −η1 , μ1 = 3+ 4 17 , μ2 = 3− 4 17 , ξ1 = 7+2 17 , ξ2 = − 7−2
17
, ξ 3 = −ξ 2 , and ξ 4 = −ξ 1 .
√ √ √ √ √ √ √ √ √ √ √
1+ √5+2 2 −1+ √5−2 2 1− √ 5+2 2 −1− √5−2 2 Ϛ Ϛ3
Next, Ϛ1 = 2
, Ϛ2 = 2
, Ϛ3 = 2
, Ϛ4 = 2
, ϕ1 = √2 , ϕ2 = √2 , ϕ3 = √2 , ϕ4 = √2 , τ1 = 1 + 2, and τ2 = 1 − 2.
1 −Ϛ2 −Ϛ 4
For the remaining values, we give the equations they solve and numerical approximations in Table IV.
The only new eigenvalues that H 1 –H 4 can offer √ are′ top ones,
√ which cannot be in F s5 . Ignoring the top eigenvalue, each of H 5 –H 10
′ ′ ′
may only offer one possible flat band, namely, a , − 3, b , α , − 6, c , respectively. By looking at the eigenvectors, we see that there are no
δj ∈ {0, 1} such that ∑5j=1 δ j ψ j = 0, except all δj = 0. Hence, these values are not in F s5 .
The same argument shows, in fact, that none of the graphs H j , j > 5, offers any flat band. Again, one looks at the eigenvalues outside the
list in (4.3), considers the corresponding eigenvectors ψ, and checks by hand that ∑5j=1 δ j ψ j = 0 for δj ∈ {0, 1} implies δj = 0 for all j. For this,
one can use the numerical approximations of the different quantities in Table IV.
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