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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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The FP-LAPW/GAM-MPW1K approach: a reliable abinitio method for calculating the band gap of II-VI semiconductors

Amor Toumiat1, Abdelghani May2

  • 1Physics Department, Constantine 1-Freres Mentouri University, Constantine, Algeria. amor.toumiat@umc.edu.dz.

Journal of Molecular Modeling
|August 28, 2023
PubMed
Abstract

Keywords:
Band GapDensity of StatesFormation EnergyGAM-MPW1K functionalMonochalcogenides

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