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Prediction of New Fingerprints of Ordering in GaInP2 Alloys

Published online by Cambridge University Press:  10 February 2011

Alberto Franceschetti ,
Su-Huai Wei  and
Alex Zunger
Alberto Franceschetti
Affiliation:
National Renewable Energy Laboratory. Golden, Colorado 80401
Su-Huai Wei
Affiliation:
National Renewable Energy Laboratory. Golden, Colorado 80401
Alex Zunger
Affiliation:
National Renewable Energy Laboratory. Golden, Colorado 80401
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Abstract

Using ab initio all-electron methods, we investigate the evolution of effective masses, deformation potentials and pressure coefficients with the degree of long-range order in spontaneously ordered Ga0.5In0.5P alloys. We find that (i) the electron effective mass in the ordering direction increases significantly with the degree of order, while the effective mass in the perpendicular direction decreases; this produces a strong anisotropy of the electron effective mass which is not present in the disordered alloy; (ii) the band-gap deformation potential for (001) epitaxial strain decreases with increasing degree of order, reflecting the extent of the ordering-induced Γ - L coupling; (iii) the band-gap pressure coefficient decreases from 8.4 meV/kbar in the disordered alloy to 6.6 meV/kbar in the ordered CuPt structure; interpolation to partial degrees of order leads to good agreement with recent high-pressure experiments.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 417: Symposium EE – Optoelectronic Materials-Ordering, Composition Modulation, and Self-Assembled … , 1995 , 103
Copyright
Copyright © Materials Research Society 1996

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