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

Recent advances in the ab initio theory of solid-state defect qubits

Calculated band structure (left) and the total and partial DOS (right)

A band-gap database for semiconducting inorganic materials calculated with hybrid functional

Nanomaterials, Free Full-Text

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

DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity - IOPscience

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

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

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