Simple intrinsic defects in GaAs : numerical supplement.

Schultz, Peter Andrew

Sandia National Laboratories

关键词: Defects;    Gallium Arsenides;    74 Atomic And Molecular Physics;    Physics;    Functionals;   

DOI  :  10.2172/1039410
RP-ID  :  SAND2012-2675
RP-ID  :  AC04-94AL85000
RP-ID  :  1039410

美国|英语

来源: UNT Digital Library

【 摘 要 】

This Report presents numerical tables summarizing properties of intrinsic defects in gallium arsenide, GaAs, as computed by density functional theory. This Report serves as a numerical supplement to the results published in: P.A. Schultz and O.A. von Lilienfeld, 'Simple intrinsic defects in GaAs', Modelling Simul. Mater. Sci Eng., Vol. 17, 084007 (2009), and intended for use as reference tables for a defect physics package in device models. The numerical results for density functional theory calculations of properties of simple intrinsic defects in gallium arsenide are presented.