Band-Gap Design of Quaternary (In,Ga) (As,Sb) Semiconductors via the Inverse-Band-Structure Approach

Paulo Piquini, Peter A. Graf, Alex Zunger

Research output: Contribution to journalArticlepeer-review

44 Scopus Citations

Abstract

Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential "Inverse-band- structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find a partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.

Original languageAmerican English
Article numberArticle No. 186403
Number of pages4
JournalPhysical Review Letters
Volume100
Issue number18
DOIs
StatePublished - 5 May 2008

NREL Publication Number

  • NREL/JA-590-43069

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