Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface | Zendy

Mousumi Upadhyay Kahaly | Zendy; Safdar Nazir | Zendy; Udo Schwingenschlögl | Zendy

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Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface

Author(s) -

Mousumi Upadhyay Kahaly,

Safdar Nazir,

Udo Schwingenschlögl

Publication year - 2011

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.3643049

Subject(s) - heterojunction , materials science , band gap , condensed matter physics , semimetal , epitaxy , classification of discontinuities , optoelectronics , substrate (aquarium) , thin film , vacancy defect , electronic band structure , electronic structure , nanotechnology , physics , layer (electronics) , mathematical analysis , oceanography , mathematics , geology

We study the epitaxial GaAs-AlAs interface of wide gap materials by full-potential density functional theory. AlAsthin films on a GaAs substrate and GaAsthin films on an AlAs substrate show different trends for the electronic band gap with increasing film thickness. In both cases, we find an insulating state at the interface and a negligible charge transfer even after relaxation. Differences in the valence and conduction band edges suggest that the energy band discontinuities depend on the growth sequence. Introduction of As vacancies near the interface induces metallicity, which opens great potential for GaAs-AlAs heterostructures in modern electronics

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