PY-501 Assignment 3a

R K Rupesh1
1
School of Physics, University of Hyderabad (20PHMP07)

I. PLOT THE EIGEN FUNCTIONS OF THE HAMILTONIAN

1. The tight binding toy model Hamiltonian is :

X X
H=t (|i⟩ ⟨i + 1| + |i + 1⟩ ⟨i|) + Vi |i⟩ ⟨i| (1)

2. Solving the Schrödinger equation H |ψ⟩ = E |ψ⟩ in the Probability amplitude basis, leads to the following eigen-
value problem:

V1 t 0 0 0 0 te−ikℓ ϕ1 ϕ1
    
 t V2 t 0 0 0 0   ϕ2   ϕ2 
 0 t V3 t 0 0 0   ϕ3  ϕ3
    
 
 0 0 t V4 t 0 0   ϕ4  = En (k)  ϕ4 (2)
    

 0 0 0 t V5 t 0  ϕ  ϕ 
  5   5 
 0 0 0 0 t V6 t  ϕ  ϕ 
6 6
teikℓ 0 0 0 0 t V7 ϕ7 ϕ7
 
1 1 1 1 1 1
3. My choice of {Vi } = , , , , , 1,
6 4 3 5 2 7
And the other parameters are t = 1, ℓ = 7.
π
4. The matrix was diagonalized numerically1 for k = 14 and n = 6. Using the fact that
ψm+ℓ = ψℓ (3)
The following plot of the wave-function v/s the site index was made

n = 6 k = 14 Eigen Function n, k
0.0
0.35
0.1 0.30
n, k

0.2 0.25
Wave Function,

n, k|2

0.3 0.20
|

0.4 0.15
0.10
0.5
0.05
0.6
0 5 10 15 20 25 30 0 5 10 15 20 25 30
Site index, m Site index, m
( ) ( ) | |2
FIG. 1. Eigen state of the Hamiltonian Eq. (1).

II. MAXIMA OF |ϕn,k (m)|2

1
Computations were done using NumPy - Python 3.9.
 2

Site index, m Band label, n Wave vector, k

π
1 4 7
2 5 0
3 5 0
π
4 1 7
π
5 3 7
π
6 6 7
7 2 0

TABLE I. Maximum |ϕn,k (m)|2 for each m