First-principle electronic structure calculations of MeAs/GaAs(001) multilayers and GaAs surfaces

S. E. Kulkova; I. Yu. Smolin; Arsen V. Subashiev

doi:10.1117/12.517429

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10 October 2003 First-principle electronic structure calculations of MeAs/GaAs(001) multilayers and GaAs surfaces

S. E. Kulkova, I. Yu. Smolin, Arsen V. Subashiev

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Proceedings Volume 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2003) https://doi.org/10.1117/12.517429
Event: Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2002, St. Petersburg, Russian Federation

Abstract

A full-potential linearized augmented plane wave (FLAPW) method is used to investigate (MeAs)₁(GaAs)_n (001) multi-layer structures wiht Me=Al, In, Cs as well as GaAs (001) and (110) surfaces. The layer-resolved densities of states, electron energy spectrum and valence charge-densities are analyzed. The adsorption of cesium is studied on both GaAs surfaces. The coverage dependence of the work function is obtained and is found to be in satisfactory agreement with experiments.

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S. E. Kulkova, I. Yu. Smolin, and Arsen V. Subashiev "First-principle electronic structure calculations of MeAs/GaAs(001) multilayers and GaAs surfaces", Proc. SPIE 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (10 October 2003); https://doi.org/10.1117/12.517429

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