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

Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory

Density of states (DOS) calculated with HSE06 for (a) TiO 2 , (b) TiO

Materials, Free Full-Text

Structural, mechanical, and electronic properties of 25 kinds of III–V binary monolayers: A computational study with first-principles calculation

Type-II 2D AgBr/SiH van der Waals heterostructures with tunable band edge positions and enhanced optical absorption coefficients for photocatalytic wa - RSC Advances (RSC Publishing) DOI:10.1039/D3RA05079C

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

Calculation of semiconductor band structures and defects by the screened exchange density functional - Clark - 2011 - physica status solidi (b) - Wiley Online Library

Understanding band gaps of solids in generalized Kohn–Sham theory

QuantumATK: An integrated platform of electronic and atomic-scale modelling tools – arXiv Vanity

a) Plot of the density of states for the (001) Ta 0.75 V 0.25 ON slab

Calculated total densities of states of bulk-PtSe2 (a) and

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

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Optical and Tunable Electronic Properties of AlAs/InSe Van Der Waals Heterostructures