First principles predictions of intrinsic defects in aluminum arsenide, AlAs : numerical supplement. | Zendy

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First principles predictions of intrinsic defects in aluminum arsenide, AlAs : numerical supplement.

Author(s) -

Peter A. Schultz

Publication year - 2012

Publication title -

osti oai (u.s. department of energy office of scientific and technical information)

Language(s) - English

Resource type - Reports

DOI - 10.2172/1039396

Subject(s) - arsenide , gallium arsenide , aluminium , density functional theory , indium arsenide , materials science , computer science , engineering physics , chemistry , physics , optoelectronics , computational chemistry , composite material

This Report presents numerical tables summarizing properties of intrinsic defects in aluminum arsenide, AlAs, as computed by density functional theory. This Report serves as a numerical supplement to the results published in: P.A. Schultz, 'First principles predictions of intrinsic defects in Aluminum Arsenide, AlAs', Materials Research Society Symposia Proceedings 1370 (2011; SAND2011-2436C), and intended for use as reference tables for a defect physics package in device models

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