High-pressure Raman spectroscopy study of wurtzite ZnO

F Decremps, J Pellicer-Porres, AM Saitta, JC Chervin… - Physical Review B, 2002 - APS
The high-pressure behavior of optical phonons in wurtzite zinc oxide (w− ZnO) is studied
using room-temperature Raman spectroscopy and ab initio calculations based on a plane …

Local structure of condensed zinc oxide

F Decremps, F Datchi, AM Saitta, A Polian, S Pascarelli… - Physical Review B, 2003 - APS
The high-pressure local structure of zinc oxide has been studied at room temperature using
combined energy-dispersive x-ray-diffraction and x-ray-absorption spectroscopy …

Ab initio investigations of optical properties of the high-pressure phases of ZnO

J Sun, HT Wang, J He, Y Tian - Physical Review B, 2005 - APS
We present a detailed investigation on optical properties of high-pressure phase ZnO in B 1
(NaCl) and B 2 (CsCl) structures, including dielectric function, refractive index, absorption …

Pressure dependence of the lattice dynamics of ZnO: An ab initio approach

J Serrano, AH Romero, FJ Manjón, R Lauck… - Physical Review B, 2004 - APS
We have performed first-principles calculations of the electronic structure of ZnO, and
applied them to the determination of structural and lattice-dynamical properties and their …

Temperature dependence of Raman scattering in

R Cuscó, E Alarcón-Lladó, J Ibáñez, L Artús, J Jiménez… - Physical Review B, 2007 - APS
We present a Raman scattering study of wurtzite ZnO over a temperature range from 80 to
750 K. Second-order Raman features are interpreted in the light of recent ab initio phonon …

Phonon dispersion relations of zinc oxide: Inelastic neutron scattering and ab initio calculations

J Serrano, FJ Manjón, AH Romero, A Ivanov… - Physical Review B, 2010 - APS
Zinc oxide is a key material for optoelectronic applications, whose transport properties are
typically dominated by the lattice vibrations. We report here the phonon-dispersion relations …

Optical properties and electronic structure of rock-salt ZnO under pressure

A Segura, JA Sans, FJ Manjón, A Munoz… - Applied physics …, 2003 - pubs.aip.org
This letter reports on the pressure dependence of the optical absorption edge of ZnO in the
rock-salt phase, up to 20 GPa. Both vapor-phase monocrystals and pulsed-laser-deposition …

Hartree-Fock study of phase changes in ZnO at high pressure

JE Jaffe, AC Hess - Physical Review B, 1993 - APS
The total energy of ZnO as a function of unit cell volume has been calculated for the zinc-
blende, wurtzite, and rocksalt structures by the ab initio all-electron periodic Hartree-Fock …

Pressure-induced softening of shear modes in wurtzite ZnO: A theoretical study

A Zaoui, W Sekkal - Physical Review B, 2002 - APS
Recent ultrasonic experiments on single-crystal specimens of the wurtzite (B 4) phase of
ZnO have shown that, under pressure, this material becomes softer against shear-type …

Lattice dynamics and hyperfine interactions in ZnO and ZnSe at high external pressures

H Karzel, W Potzel, M Köfferlein, W Schiessl, M Steiner… - Physical Review B, 1996 - APS
Abstract The II-VI semiconductors ZnO and ZnSe have been investigated by x-ray and
ssbauer 67 spectroscopy at high external pressures. In ZnSe, the recoilfree fraction f …