Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1-x-yP Alloys

Sirichok Jungthawan; Sukit Limpijumnong; Reuben Collins; Kwiseon Kim; Peter A. Graf; John A. Turner

doi:10.1063/1.3153948

Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1-x-yP Alloys

Sirichok Jungthawan, Sukit Limpijumnong, Reuben Collins, Kwiseon Kim, Peter A. Graf, John A. Turner

Research output: Contribution to journal › Article › peer-review

5 Scopus Citations

Abstract

A band-gap database of a large number of configurations (∼5000 configurations) is produced for AlGaInP semiconductor alloys using an empirical pseudopotential method. Our results show that the band gap of this alloy system depends strongly on the cation arrangement in addition to the alloy composition. This indicates that one can effectively control the band gap of alloys by controlling the cation arrangement. For each given alloy composition, the range of possible band gaps is calculated and the complete database of the results is made available online. Our results show that a majority of alloy configurations have band gaps smaller than those predicted by Vegard's law. Our results also show several systematic trends in the band gaps depending on the superlattice directions.

Original language	American English
Article number	Article No. 123531
Number of pages	9
Journal	Journal of Applied Physics
Volume	105
Issue number	12
DOIs	https://doi.org/10.1063/1.3153948 https://doi.org/10.1063/1.3153948
State	Published - 2009

NREL Publication Number

NREL/JA-590-46462

Keywords

aluminium
band gap
III-V semiconductors
interpolation
superlattices

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title = "Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1-x-yP Alloys",

abstract = "A band-gap database of a large number of configurations (∼5000 configurations) is produced for AlGaInP semiconductor alloys using an empirical pseudopotential method. Our results show that the band gap of this alloy system depends strongly on the cation arrangement in addition to the alloy composition. This indicates that one can effectively control the band gap of alloys by controlling the cation arrangement. For each given alloy composition, the range of possible band gaps is calculated and the complete database of the results is made available online. Our results show that a majority of alloy configurations have band gaps smaller than those predicted by Vegard's law. Our results also show several systematic trends in the band gaps depending on the superlattice directions.",

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AU - Jungthawan, Sirichok

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AU - Kim, Kwiseon

AU - Graf, Peter A.

AU - Turner, John A.

PY - 2009

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AB - A band-gap database of a large number of configurations (∼5000 configurations) is produced for AlGaInP semiconductor alloys using an empirical pseudopotential method. Our results show that the band gap of this alloy system depends strongly on the cation arrangement in addition to the alloy composition. This indicates that one can effectively control the band gap of alloys by controlling the cation arrangement. For each given alloy composition, the range of possible band gaps is calculated and the complete database of the results is made available online. Our results show that a majority of alloy configurations have band gaps smaller than those predicted by Vegard's law. Our results also show several systematic trends in the band gaps depending on the superlattice directions.

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Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1-x-yP Alloys

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