Density Functional Studies of Nonlinear Elastic Properties for Zinc-Blende Nitrides

• Authors: M. Łopuszyński , J. Majewski
• Languages of publication: EN

Abstracts

EN

In this paper we present a method of calculating third-order elastic constants C_{ijk} and its application to zinc-blende nitrides AlN, GaN, and InN. Our approach is based on accurate ab initio calculations of both energy and stress as a function of applied strain. Ab initio computations are performed within density functional theory framework. To assess the reliability of the presented method, we compare our theoretical findings for GaAs with experimental results for C_{ijk} available for this material.

Keywords

EN

62.20.Dc; 43.25.+y; 62.50.+p

Discipline

• 43.25.+y: Nonlinear acoustics

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2007
• Volume: 112
• Issue: 2
• Pages: 443-447

Dates

published

2007-08

received

2007-06-09

Contributors

author

M. Łopuszyński

• Interdisciplinary Centre for Mathematical and Computational Modelling, Warsaw University, Pawińskiego 5A, 02-106 Warsaw, Poland

author

J. Majewski

• Institute of Theoretical Physics, Faculty of Physics, Warsaw University, Hoża 69, 00-681 Warsaw, Poland

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Identifiers

DOI

10.12693/APhysPolA.112.443