Local atomic structure of semiconductor alloys using pair distribution functions

Jean S. Chung, Michael Thorpe

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

We have developed a method of calculating the pair distribution function of binary semiconductor crystals and pseudobinary alloys with the zinc-blende structures. The pair distribution function is essentially the density-density correlation function and reveals the local structure directly. We have used a simple model using a harmonic potential with bond-stretching and bond-bending forces. The temperature dependence has been incorporated quantum mechanically. Results of this method are presented for both crystals (InAs and GaAs) and alloys (Ga1-xInxAs). These results can be directly compared with x-ray and neutron-diffraction experiments.

Original languageEnglish (US)
Pages (from-to)1545-1553
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume55
Issue number3
StatePublished - Jan 15 1997
Externally publishedYes

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Crystal atomic structure
atomic structure
Distribution functions
distribution functions
Semiconductor materials
Crystals
Neutron diffraction
Stretching
crystals
neutron diffraction
Zinc
x ray diffraction
zinc
harmonics
X rays
temperature dependence
Experiments
Temperature
gallium arsenide
indium arsenide

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Local atomic structure of semiconductor alloys using pair distribution functions. / Chung, Jean S.; Thorpe, Michael.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 55, No. 3, 15.01.1997, p. 1545-1553.

Research output: Contribution to journalArticle

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