58 citations · 268 across the 8 of their papers we have counts for
8 papers
Vibrational and Thermal Properties of ZnX (X=Se, Te): Density Functional Theory (LDA and GGA) versus Experiment
R. K. Kremer, M. Cardona, R. Lauck +2
We calculated the phonon dispersion relations of ZnX (X=Se, Te) employing ab initio techniques. These relations have been used to evaluate the temperature dependence of the respect…
Electronic and phononic properties of the chalcopyrite CuGaS2
A. H. Romero, M. Cardona, R. K. Kremer +5
The availability of ab initio electronic calculations and the concomitant techniques for deriving the corresponding lattice dynamics have been profusely used for calculating thermo…
Electronic and phononic properties of cinnabar: ab initio calculations and some experimental results
M. Cardona, R. K. Kremer, R. Lauck +4
We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calc…
Electronic, vibrational, and thermodynamic properties of ZnS (zincblende and rocksalt structure)
M. Cardona, R. K. Kremer, R. Lauck +4
We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calcula…
Electronic, vibrational and thermodynamic properties of beta-HgS (metacinnabar), HgSe and HgTe
M. Cardona, R. K. Kremer, R. Lauck +3
We report ab initio calculations of the electronic band structure and the phonon dispersion relations of the zincblende-type mercury chalcogenides (beta-HgS, HgSe, and HgTe). The l…
Lattice Dynamics and Specific Heat of - GeTe: a theoretical and experimental study
R. Shaltaf, X. Gonze, M. Cardona +2
We extend recent \textit{ab initio} calculations of the electronic band structure and the phonon dispersion relations of rhombohedral GeTe to calculations of the density of phonon…