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Sol 8

The document is a problem set from an MIT physics course on the physics of solids. It contains 4 problems regarding tight binding models and band structure calculations. Problem 1 involves a 2D tight binding model with nearest and next-nearest neighbor hopping. Problem 2 examines a 1D model with two orbits per unit cell. Problem 3 looks at calculating the band structure of graphene using a tight binding model. Problem 4 analyzes electron oscillations induced by an external force in a 1D band. Detailed calculations and derivations are required to solve each problem.

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182 views

Sol 8

The document is a problem set from an MIT physics course on the physics of solids. It contains 4 problems regarding tight binding models and band structure calculations. Problem 1 involves a 2D tight binding model with nearest and next-nearest neighbor hopping. Problem 2 examines a 1D model with two orbits per unit cell. Problem 3 looks at calculating the band structure of graphene using a tight binding model. Problem 4 analyzes electron oscillations induced by an external force in a 1D band. Detailed calculations and derivations are required to solve each problem.

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hard6dside
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© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
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You are on page 1/ 8

MASSACHUSETTS INSTITUTE OF TECHNOLOGY

Physics Department

8.231, Physics of Solids I

Problem set #8

1. 2D tight binding model with nearest-neighbor and next-nearest-neighbor hopping


Consider the following 2D tight binding model. The hopping amplitude between the nearest-
neighbors is t1 . The hopping amplitude between the next-nearest-neighbors is t2 . The lattice
constant is a.

t1

a t2

(a) Find the dispersion relation of the energy band (k) in the Brillouin zone.
(b) Let us fill the band with spin-1/2 electrons. The electron density is one electron per site.
Assume that t2 = 0. Show that the Fermi energy EF = 0 and plot the Fermi surface.
(c) Now, Assume that |t2 |  t1 . Plot the Fermi surface for t2 > 0 case and t2 < 0 case. (You
may still assume EF = 0.)

2. Band structure for an 1D tight binding model with two orbits per unit cell:
Consider an 1D tight binding model where the hoping between sites are described by the
following picture.

t t’

2a
(a) Show that the dispersions of the two bands can be obtained from the following k depen-
dent 2 by 2 matrix
     
0 1 0 i2ak 0 1 0 −i2ak 0 0
M (k) = −t −te −te
1 0 0 0 1 0

(b) Find the dispersions of the two bands, 1 (k) and 2 (k).
(c) Find 1 (k) and 2 (k) for (1) t = t0 and (2) t0  t.
(d) Find the energy gap ∆ between the two bands.

1
Solution:

2
.

3. Band structure for graphene – tight binding model:


Carbon atoms in graphene form a 2D hexagonal lattice.

t t
t
2
1

Note that there are two atoms per unit cell. We assume that electrons can only hop to the
nearest neighbor atoms. The hopping amplitude is t.
To find the band structure of graphene as described by the tight binding model, let us deform
the hexagonal lattice to a square lattice

3
t
2
t
t
1

For the square lattice, we can use |i, 1i and |i, 2i to represent the states on the Carbon atoms,
where
i = n1 x + n2 y, n1 , n2 = integers.
The hoping Hamiltonian for a single electron can now be written as
X X
H=t (|i, 1ihi, 2| + |i, 2ihi, 1|) + t (|i + x, 1ihi, 2| + |i, 2ihi + x, 1|)
i i
X
+t (|i + y, 1ihi, 2| + |i, 2ihi + y, 1|)
i

The three terms represent the hopping through the three different types of links.

(a) Write the hopping Hamiltonian in the form


X
0
H= |i, biMba hi, a|
i,a,b
X
1 1 ∗

+ |i + x, biMba hi, a| + |i, ai(Mba ) hi + x, b|
i,a,b
X
2 2 ∗

+ |i + y, biMba hi, a| + |i, ai(Mba ) hi + y, b|
i,a,b

and show that the 2 by 2 matrices M 0 , M 1 and M 2 are given by


     
0 0 1 1 0 1 2 0 1
M =t , M =t , M =t . (0.1)
1 0 0 0 0 0

(b) Assume that the square lattice has a size L × L (the lattice constant is assumed to be
a = 1) and has a periodic boundary condition in both x- and y-directions. Let
X
|k, ai = L−1 eik·i |i, ai
i

be the plane-wave states that satisfy the periodic boundary condition. Find the quan-
tization condition on k. Find the range of k so that different k’s in that range will
correspond to different states. Show that in terms of the plane-wave states, the hopping
Hamiltonian can be rewritten as
X
H= |k, biMba (k)hk, a|
k,a,b

Find the 2 by 2 matrix M (k).

4
(c) From the 2 by 2 matrix M (k), calculate the dispersions of the two bands 1 (k) and
2 (k). Plot the dispersions. Find the locations in the Brillouin zone where the two band
touches, ie 1 (k) = 2 (k).

Solution:

5
.

6
.

7
.

4. Oscillations induced by a static force: An 1D electron band has the following dispersion
k = 0 cos(ka) where a is the lattice constant. Under the influence of static force F , the
momentum of the electron p = ~k increases according to the Newton law ~ dk dt = F . Assume
the electron is at x = 0 and has a zero velocity v = 0 at time t = 0, find the position of
electron at time t. (Hint: the velocity of the electron is the group velocity v = ~−1 d
dk .)
k

Solution:

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