Weak Form of the Effective Mass Schrodinger Equation

Click For Summary
SUMMARY

The discussion focuses on the numerical solution of the 2D effective-mass Schrödinger equation, specifically addressing the weak form of the equation. The user presents the equation in terms of an effective mass matrix and queries the correctness of their formulation involving the matrix elements. The weak form is correctly identified as incorporating the effective mass and potential energy terms, leading to the conclusion that the user is on the right track but needs to ensure proper handling of the anisotropic effective mass components.

PREREQUISITES
  • Understanding of the Schrödinger equation and quantum mechanics
  • Familiarity with numerical methods for solving partial differential equations
  • Knowledge of effective mass theory in solid-state physics
  • Proficiency in matrix calculus and vector analysis
NEXT STEPS
  • Review the derivation of the weak form of the Schrödinger equation in anisotropic materials
  • Explore numerical methods for solving PDEs, specifically finite element methods
  • Study the implications of effective mass variations in semiconductor physics
  • Investigate software tools for simulating quantum mechanical systems, such as COMSOL Multiphysics
USEFUL FOR

Researchers and students in quantum mechanics, computational physicists, and engineers working on semiconductor materials and devices.

Morberticus
Messages
82
Reaction score
0
Hi,

I am numerically solving the 2D effective-mass Schrödinger equation

\nabla \cdot (\frac{-\hbar^2}{2} c \nabla \psi) + (U - \epsilon) \psi = 0

where c is the effective mass matrix

\left( \begin{array}{cc}<br /> 1/m^*_x &amp; 1/m^*_{xy} \\<br /> 1/m^*_{yx} &amp; 1/m^*_y \\<br /> \end{array} \right)

I know that, when the effective mass is isotropic, the weak form is
\int \frac{-\hbar^2}{2m^*}\nabla \psi \cdot \nabla v + U\psi vd\Omega = \int \epsilon \psi vd\Omega

The matrix is giving me trouble however. Is this the correct form?

\int \frac{-\hbar^2}{2m^*_x}\frac{\partial u}{\partial x}\frac{ \partial v}{\partial x} + \frac{-\hbar^2}{2m^*_{xy}}\frac{\partial u}{\partial x}\frac{ \partial v}{\partial y} + \frac{-\hbar^2}{2m^*_{yx}}\frac{\partial u}{\partial y}\frac{ \partial v}{\partial x} + \frac{-\hbar^2}{2m^*_y}\frac{\partial u}{\partial y}\frac{ \partial v}{\partial y} + U\psi v d\Omega= \int \epsilon \psi v d\Omega
 
Last edited:
Physics news on Phys.org
I'm sorry you are not generating any responses at the moment. Is there any additional information you can share with us? Any new findings?
 

Similar threads

  • · Replies 7 ·
Replies
7
Views
2K
  • · Replies 6 ·
Replies
6
Views
2K
  • · Replies 17 ·
Replies
17
Views
3K
Replies
29
Views
2K
  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 5 ·
Replies
5
Views
2K
  • · Replies 9 ·
Replies
9
Views
3K
Replies
8
Views
1K
  • · Replies 10 ·
Replies
10
Views
3K
  • · Replies 3 ·
Replies
3
Views
1K