174 citations · 700 across the 21 of their papers we have counts for
4 papers · 1 filter
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…
Lattice Properties of PbX (X = S, Se, Te): Experimental Studies and ab initio Calculations Including Spin-Orbit Effects
A. H. Romero, M. Cardona, R. K. Kremer +4
During the past five years the low temperature heat capacity of simple semiconductors and insulators has received renewed attention. Of particular interest has been its dependence…
Strain-Induced Conduction Band Spin Splitting in GaAs from First Principles Calculations
Athanasios N. Chantis, Manuel Cardona, Niels E. Christensen +5
We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orb…
Path-integral molecular dynamics simulation of 3C-SiC
Rafael Ramirez, Carlos P. Herrero, Eduardo R. Hernandez +1
Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanic…