This article reviews the current status of lattice-dynamical calculations in crystals, using
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …

Since the end of the cold war, macroscopic amounts of separated stable isotopes of most
elements have been available “off the shelf” at affordable prices. Using these materials …

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 …

Computer simulations allow for the investigation of many materials properties and processes
that are not easily accessible in the laboratory. This is particularly true in the Earth sciences …

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 …

This paper gives a brief review of the effect of temperature and pressure on Raman spectra.
Anharmonicity, defined by the cubic, quartic and higher terms in the potential expansion, is …

We have investigated the effects of isotopic composition on the band gap of CuCl on a
series of samples made out of the stable isotopes 63 Cu, 65 Cu, 35 Cl, and 37 Cl. Besides …

We have locked the frequency of a 3 THz quantum cascade laser (QCL) to that of a far-
infrared gas laser with a tunable microwave offset frequency. The locked QCL line shape is …

We present an ab initio pseudopotential calculation of thermodynamic properties of
aluminum and tungsten. The difference of almost one order of magnitude of the …

The elastic shear constants, C11, C12 and C44, internal-strain parameters, and deformation
potentials at the valence-band maximum are calculated for cubic ZnS and ZnSe under …