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Title: Elastic properties of InGaN and InAlN from first-principles calculations

Elastic properties of wurtzite In{sub x}Ga{sub 1−x}N and In{sub x}Al{sub 1−x}N alloys are investigated using the first principles calculations. For alloys with uniform distribution of In atoms, a Vegard-like approximation can describe the composition dependences of C{sub 12}, C{sub 13}, and C{sub 44} in In{sub x}Ga{sub 1−x}N, and C{sub 12}, C{sub 13}, and C{sub 33} in In{sub x}Al{sub 1−x}N, whereas significant sublinear deviations are found for C{sub 11}and C{sub 33} in In{sub x}Ga{sub 1−x}N and for C{sub 11}and C{sub 44}in In{sub x}Al{sub 1−x}N. These deviations lead to significant changes in determination of strain in In{sub x}Ga{sub 1−x}N and In{sub x}Al{sub 1−x}N layers grown coherently on GaN substrates along polar and nonpolar directions. Changes of the interband transitions energy in In{sub x}Ga{sub 1−x}N/GaN quantum wells due to the inclusion of the nonlinear dependence of the elastic constants on In content do not exceed 25 meV.
Authors:
 [1] ;  [2]
  1. Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, ul. Sokołowska 29/37, 01-142 Warszawa, Poland and Faculty of Mathematics and Natural Sciences, Cardinal Stefan Wyszynski University, Dewajtis 5, 01-815 Warszawa (Poland)
  2. Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, ul. Sokołowska 29/37, 01-142 Warszawa (Poland)
Publication Date:
OSTI Identifier:
22261948
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1566; Journal Issue: 1; Conference: ICPS 2012: 31. international conference on the physics of semiconductors, Zurich (Switzerland), 29 Jul - 3 Aug 2012; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; APPROXIMATIONS; ELASTICITY; ENERGY-LEVEL TRANSITIONS; GALLIUM NITRIDES; QUANTUM WELLS; SUBSTRATES