Abstract

We present and apply an approach to directly enumerate the band gaps and effective masses of all possible zinc blende-based alloy configurations whose unit cell contains up to a specified number of atoms. This method allows us to map the space of band gaps and effective masses versus alloy composition and atomic configuration. We demonstrate that a large number of band gaps and effective masses are available. We also discuss convergence of the method with respect to unit cell size and the combined optimization of band gap and effective mass for AlGaAs and GaInP semiconductor alloys.

Original Publication Citation

Kwiseon Kim, Peter A. Graf, Wesley B. Jones and Gus L. W. Hart, "Direct enumeration of alloy configurations for electronic structural properties," Appl. Phys. Lett. 87, 243111 (8 Dec. 25). The original article may be found here: http://apl.aip.org/resource/1/applab/v87/i24/p243111_s1

Document Type

Peer-Reviewed Article

Publication Date

2005-10-17

Permanent URL

http://hdl.lib.byu.edu/1877/2955

Publisher

American Institute of Physics

Language

English

College

Physical and Mathematical Sciences

Department

Physics and Astronomy

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