First principles study of BAs/MoSi₂N₄ van der Waals heterostructure: tunable electronic and optical properties <i>via</i> vertical strain

Abstract

We use first-principles calculations to explore the modulation of a two-dimensional BAs/MoSi 2 N 4 van der Waals heterostructure via strain, including the structure stabilities, electronic properties, charge transfer and optical properties.