Ab initiotheory of polar semiconductor surfaces. I. Methodology and the (22) reconstructions of GaAs(111) | Zendy

Efthimios Kaxiras | Zendy; Yaneer Bar-Yam | Zendy; J. D. Joannopoulos | Zendy; K. C. Pandey | Zendy

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Ab initiotheory of polar semiconductor surfaces. I. Methodology and the (22) reconstructions of GaAs(111)

Author(s) -

Efthimios Kaxiras,

Yaneer Bar-Yam,

J. D. Joannopoulos,

K. C. Pandey

Publication year - 1987

Publication title -

physical review. b, condensed matter

Language(s) - English

Resource type - Journals

eISSN - 1095-3795

pISSN - 0163-1829

DOI - 10.1103/physrevb.35.9625

Subject(s) - pseudopotential , ab initio , polar , context (archaeology) , semiconductor , density functional theory , compound semiconductor , materials science , stoichiometry , ab initio quantum chemistry methods , energy (signal processing) , total energy , atomic physics , computational chemistry , condensed matter physics , molecular physics , physics , chemistry , nanotechnology , quantum mechanics , molecule , epitaxy , optoelectronics , psychology , paleontology , layer (electronics) , displacement (psychology) , psychotherapist , biology

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