Validation of the effective masses calculated using finite difference method on a five-point stencil for inorganic and organic semiconductors

TL;DR

This paper introduces a finite difference method-based code for calculating effective masses from energy dispersion relations, validated on both inorganic and organic semiconductor crystals.

Contribution

The paper presents a new computational code using a five-point stencil finite difference method for effective mass calculation, validated across multiple semiconductor materials.

Findings

Accurately computes effective masses for GaAs, InP, pentacene, and rubrene.

Demonstrates the validity of the finite difference approach for different semiconductor types.

Provides a reliable tool for semiconductor property analysis.

Abstract

We present a code to calculate effective masses from energy dispersion relation using finite difference method on a five-point stencil. We validate our code against inorganic (GaAs and InP) and organic (pentacene and rubrene) crystals.