Finding Band Gaps for Dirac Comb Potential

Click For Summary
SUMMARY

The discussion focuses on finding band gaps for the Dirac Comb potential defined by the equation $$V = \sum_n aV_0(x-na)$$. Participants utilize Bloch's Theorem, represented as $$\psi(x+a) = e^{ika}\psi(x)$$, to derive conditions for band gaps. The key equation for analysis is $$\cos(k a) = \cos(\kappa a) + \frac{2ma^2V_0}{\hbar^2}\frac{\sin(\kappa a)}{\kappa a} = f(\kappa a)$$. An approximate method for estimating the size of the first few band gaps is proposed, leveraging the observation that $$f(\kappa a) = n\pi$$ serves as an exact solution for the start of a forbidden band.

PREREQUISITES
  • Understanding of Bloch's Theorem in solid-state physics
  • Familiarity with transcendental equations and their solutions
  • Knowledge of power series expansions in mathematical physics
  • Basic concepts of band theory in quantum mechanics
NEXT STEPS
  • Explore the application of power series expansions in quantum mechanics
  • Study numerical methods for solving transcendental equations
  • Investigate the implications of band gaps in solid-state physics
  • Learn about the Dirac Comb potential and its applications in condensed matter physics
USEFUL FOR

Physicists, graduate students in quantum mechanics, and researchers focusing on solid-state physics and band structure analysis.

MisterX
Messages
758
Reaction score
71

Homework Statement


Find band gaps for Dirac Comb potential
$$V = \sum_n aV_0(x-na) $$

Homework Equations


Bloch Theorem
$$\psi(x+a) = e^{ika}\psi(x)$$

The Attempt at a Solution


I can solve exactly up to
$$\cos(k a) = \cos(\kappa a) + \frac{2ma^2V_0}{\hbar^2}\frac{\sin(\kappa a)}{\kappa a} = f(\kappa a)$$
Where ##E = \frac{\hbar^2 \kappa^2}{2m}## and ##k## is the Bloch wavenumber. The goal is to solve for the gaps between the energy bands. Due to the transcendental nature we don't expect an exact solution, but can we get an approximate solution for the first few gaps without resorting to numerical methods?
A gap will be either

  • start at ##\kappa_1##: ##f(\kappa_1 a) =1## and ##f'(\kappa_2 a) > 0## and end at the next ##\kappa## where ##f(\kappa_2 a) =1## and ##f'(\kappa_2 a) < 0##
  • start at ##\kappa_1##: ##f(\kappa_1 a) =-1## and ##f'(\kappa_2 a) < 0## and end at the next ##\kappa## where ##f(\kappa_2 a) =-1## and ##f'(\kappa_2 a) > 0##

So maybe there is a way to approximate ##f(\kappa a)## for example that will enable estimating the size of the first couple band gaps? I tried doing a power series expansion to forth order in ##\kappa## around ##\kappa=0## but even that seemed too complicated.
 
Physics news on Phys.org
I came up with a way to estimate the bands. I noticed that ##f(\kappa a) = n\pi## is always an exact solution for the start of a forbidden band. I then made an expansion about those points to estimate where the forbidden band ended.
 

Similar threads

  • · Replies 9 ·
Replies
9
Views
2K
  • · Replies 16 ·
Replies
16
Views
3K
  • · Replies 16 ·
Replies
16
Views
3K
Replies
8
Views
8K
Replies
7
Views
5K
  • · Replies 13 ·
Replies
13
Views
5K
  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 6 ·
Replies
6
Views
4K
  • · Replies 7 ·
Replies
7
Views
2K
  • · Replies 20 ·
Replies
20
Views
3K