Ground State Properties of the Wide Band Gap Semiconductor Beryllium Sulfide (BeS)

Ground State Properties of the Wide Band Gap Semiconductor Beryllium Sulfide (BeS)

We report the results from self-consistent calculations of electronic, transport, and bulk properties of beryllium sulfide (BeS) in the zinc-blende phase, and employed an ab-initio local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO). We obtained the groun...

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Bibliographic Details
Main Authors: Blaise A. Ayirizia, Janee’ S. Brumfield, Yuriy Malozovsky, Diola Bagayoko
Format: Article
Language:English
Published: MDPI AG 2021-10-01
Series:Materials
Subjects:
zinc-blende structure
local density approximation
energy minimization
electronic energies and related properties
Online Access:https://www.mdpi.com/1996-1944/14/20/6128

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https://www.mdpi.com/1996-1944/14/20/6128

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