material module

This file defines the Material class and Alloy class with material datas for III/V semiconductor electron band. The module contains:

  • Material class;

  • Alloy class (inherited from Material class);

  • MParam dictionary, which stores constants for different materials

  • AParam dictionary, which stores constants for different alloys

class ErwinJr2.material.Alloy(name, x, temp=300)

Bases: Material

An alloy of material with Mole fraction x

Parameters:

  • Name – Name of the alloy

  • x (float) – The first composition’s Mole fraction defined in AParam

  • Temperature – Temperature of the alloy

set_molefrac(x)

Update parameters of the alloy with Mole fraction x

Parameters:

x (float) – The first composition’s Mole fraction defined in AParam

Yields:

param (dict) – stores the parameter of the alloy

set_temperature(temp)

Set temperature of the alloy and update related parameters, lattice consant and band gap, by updating the temperature of the materials in the alloy

Yields:

T (int) – Updated temperature

class ErwinJr2.material.Material(name, temp=300)

Bases: object

A semiconductor material class that stores material parameters

Parameters:

  • Name – Name of material

  • Temperature – Temperature of the material

set_strain(a_parallel)

Update parameters’ dependence on strain, according to Pikus-Bir interaction.

Parameters:

a_parallel (float) – lattice constant of the substrate

Yields:

  • eps_parallel (float) – Strain tensor within/parallel to the layer plane

  • a_perp (float) – Lattice const. perpendicular to the layer plane

  • eps_perp (float) – Strain tensor perpendicular to the layer plane

  • param (dict) – Update parameters’ dependence on strain

set_temperature(temp)

Set temperature of the material and update related parameters: lattice constant and band gap.

Yields:

  • T (float) – Updated temperature

  • param (dict) – lattice constant and band gap in this dictionary are updated

ErwinJr2.material.MParm

A Python dict for material parameters

ErwinJr2.material.AParm

A Python dict for alloy parameters