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The phonon dispersion of wurtzite‐ZnO revisited
Author(s) -
Serrano J.,
Manjón F. J.,
Romero A. H.,
Ivanov A.,
Lauck R.,
Cardona M.,
Krisch M.
Publication year - 2007
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/pssb.200675145
Subject(s) - wurtzite crystal structure , phonon , condensed matter physics , dielectric , dielectric function , dispersion (optics) , ab initio , inelastic neutron scattering , materials science , dispersion relation , field (mathematics) , neutron scattering , scattering , physics , optics , optoelectronics , quantum mechanics , zinc , mathematics , pure mathematics , metallurgy
Inelastic neutron scattering measurements are reported for the optical phonon branches of wurtzite ZnO. The experimental data are in excellent agreement with the ab‐initio calculations for the phonon dispersion relations based on linear response theory. Discrepancies between theory and present data observed for the longitudinal optic branches along the [100] and [001] directions are attributed to an inaccurate description of the dielectric constant of ZnO and, consequently, the crystal‐ and electric‐field splitting. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)