Theoretical Calculations of Cohesive and Electronic Properties of Quaternary AlGaInN Alloys

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

Abstracts

EN

We present theoretical studies of the AlGaInN nitride quaternary alloys. The studies are based on ab initio calculations performed within the density functional theory and virtual crystal approximation. The equilibrium lattice constants, bulk moduli, and elastic constants were calculated for the whole possible range of concentrations of the alloy constituents. The theoretical values were then fitted with second- and third-order polynomials. For all properties studied, the considerable bowing was observed.

Keywords

EN

61.66.Dk; 61.66.-f; 62.20.Dc; 64.30.+t

Discipline

• 61.66.-f: Structure of specific crystalline solids(for surface structure, see 68.35.B-)
• 61.66.Dk: Alloys

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2007
• Volume: 112
• Issue: 2
• Pages: 449-454

Dates

published

2007-08

received

2007-06-09

Contributors

author

M. Łopuszyński

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

author

J. Bartoszek

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

author

J. Majewski

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

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Identifiers

DOI

10.12693/APhysPolA.112.449