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Strain Influence on III‐Nitrides: Ab Initio Studies of Structural, Lattice‐Dynamical, and Dielectric Properties
Author(s) -
Wagner J.M.,
Bechstedt F.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199911)216:1<793::aid-pssb793>3.0.co;2-x
Subject(s) - wurtzite crystal structure , dielectric , condensed matter physics , materials science , lattice (music) , ab initio , phonon , lattice constant , ab initio quantum chemistry methods , nitride , physics , quantum mechanics , nanotechnology , molecule , diffraction , optoelectronics , layer (electronics) , zinc , acoustics , metallurgy
We present results of first‐principles calculations concerning structural, dielectric, and lattice‐dynamical properties of strained GaN and AlN in wurtzite structure. In particular, we consider the symmetry‐conserving biaxial strain along the c ‐axis. Its influence on the lattice parameters, the dielectric constants, the dynamical effective charges, and the phonon frequencies is studied in detail. In addition, we investigate the variation of the dielectric and lattice‐dynamical properties with the internal strain.