HSE06-calculated band structure of AlAs, total density of states (DOS)

Calculated band structure, total and partial density of states (TDOS

HSE06-calculated band structure of AlAs, total density of states (DOS)

An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations

Accurate and efficient band-offset calculations from density functional theory - ScienceDirect

Tunable electronic and optical properties of a type-II AlAs/GaS heterojunction: first-principles calculations - CrystEngComm (RSC Publishing) DOI:10.1039/D3CE00255A

Band Structure Calculations - an overview

First-Principles Study of Point Defects in GaAs/AlAs Superlattice: the Phase Stability and the Effects on the Band Structure and Carrier Mobility

Density Functional Theory Study of Metallic Silicon (111) Plane Structures

Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals