Issue 26, 2023

Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder

Abstract

Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals.

Graphical abstract: Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder

Article information

Article type
Paper
Submitted
09 Feb 2023
Accepted
12 May 2023
First published
13 Jun 2023
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2023,13, 17907-17913

Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder

L. Craco, S. S. Carara, E. da Silva Barboza, M. V. Milošević and T. A. S. Pereira, RSC Adv., 2023, 13, 17907 DOI: 10.1039/D3RA00898C

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