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Title: Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase

We report first-principle density functional calculations of the spontaneous polarization, piezoelectric stress constants, and elastic constants for the III–V wurtzite structure semiconductors InAs and InP. Using the density functional theory implemented in the VASP code, we obtain polarization values–0.011 and–0.013 C/m{sup 2}, and piezoelectric constants e{sub 33} (e{sub 31}) equal to 0.091 (–0.026) and 0.012 (–0.081) C/m{sup 2} for structurally relaxed InP and InAs respectively. These values are consistently smaller than those of nitrides. Therefore, we predict a smaller built-in electric field in such structures.
Authors:
;  [1] ; ;  [2] ; ;  [1]
  1. Université Européenne de Bretagne (France)
  2. Université de Carthage, Laboratoire de Physico-Chimie, des Microstructures et des Microsystémes, Institut Préparatoire aux Études Scientifiques et Techniques (Tunisia)
Publication Date:
OSTI Identifier:
22472131
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Experimental and Theoretical Physics; Journal Volume: 121; Journal Issue: 2; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CUBIC LATTICES; DENSITY FUNCTIONAL METHOD; ELECTRIC FIELDS; INDIUM ARSENIDES; INDIUM PHOSPHIDES; NITRIDES; PIEZOELECTRICITY; POLARIZATION; SEMICONDUCTOR MATERIALS; STRESSES; V CODES