Abstract

We present details of the effects of strain applied to bulk ErAs, a rock-salt semimetal, on both the structural and electronic properties, including elastic constants, volume and pressure deformation potentials, band parameters, and effective masses, computed both within density-functional theory and with many-body perturbation theory using the GW approximation. We focus on understanding the nature of the errors due that arise from using the Kohn--Sham eigenvalues as an excitation spectrum. The properties computed here are required to understand the effects of strain and quantum confinement on the band structure and on derived properties, such as transport.

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