Large Rashba spin splittings in bulk and monolayer of BiAs

Zubair, Muhammad; Evangelista, Igor; Khalid, Shoaib; Medasani, Bharat; Janotti, Anderson

doi:10.1103/physrevmaterials.8.054604

Large Rashba spin splittings in bulk and monolayer of BiAs

Journal Article · Mon May 20 00:00:00 EDT 2024 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.8.054604· OSTI ID:2376995

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Univ. of Delaware, Newark, DE (United States)
Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)

There is great interest in developing new materials with Rashba split bands near the Fermi level for spintronics. Here, using first-principles calculations, we predict BiAs as a semiconductor with large Rashba splitting in bulk and monolayer forms. Bulk BiAs has a layered crystal structure with two atoms in a rhombohedral primitive cell, derived from the structure of the parent Bi and As elemental phases. It is a narrow band gap semiconductor, and it shows a combination of Rashba and Dresselhaus spin splitting with a characteristic spin texture around the L point in the Brillouin zone of the hexagonal conventional unit cell. It has sizable Rashba energies and Rashba coupling constants in the valence and conduction bands at the band edges. The 2D monolayer of BiAs has a much larger band gap at Γ, with a circular spin texture characteristic of a pure Rashba effect. The Rashba energy and Rashba coupling constant of monolayer BiAs are large compared to other known 2D materials and rapidly increase under biaxial tensile strain.

View Accepted Manuscript (DOE)

Research Organization:: Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC02-09CH11466

OSTI ID:: 2376995

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 5 Vol. 8; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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