Extension of the LDA-1/2 method to the material class of bismuth\n containing III-V semiconductors

2020/08/11 by Sven C. Liebscher, Liebscher, Sven C., Lars C. Bannow +7
Physics and Astronomy · Engineering · #Semiconductor Quantum Structures and Devices #Advanced Semiconductor Detectors and Materials #Optical properties and cooling technologies in crystalline materials

paper · pdf · doi:10.48550/arxiv.2008.04771

Abstract

The LDA-1/2 method is employed in density functional theory calculations for\nthe electronic structure of III-V dilute bismide systems. For the\nrepresentative example of Ga(SbBi) with Bi concentrations below 10 %, it is\nshown that this method works very efficiently, especially due to its reasonably\nlow demand on computer memory. The resulting bandstructure and wavefunctions\nare used to compute the interaction matrix elements that serve as input to\nmicroscopic calculations of the optical properties and intrinsic losses\nrelevant for optoelectronic applications of dilute bismides.\n

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