3 papers
cond-mat.mtrl-sci2004
Non-linear optical susceptibilities, Raman efficiencies and electrooptic tensors from first-principles density functional perturbation theory
M. Veithen, X. Gonze, Ph. Ghosez
The non-linear response of infinite periodic solids to homogenous electric fields and collective atomic displacements is discussed in the framework of density functional perturbati…
cond-mat.mtrl-sci2004
First-principles study of filled and unfilled skutterudite antimonies
Marek Veithen, Philippe Ghosez
The electron localization tensor, Born effective charges, dielectric constants and phonon dispersion relations of the skutterudite CoSb and the filled skutterudite TlFeCoSb…
cond-mat1998
First-principles computation of the Born effective charges and their band-by-band decomposition
Ph. Ghosez, X. Gonze
The Born effective charge, Z*, that describes the polarization created by collective atomic displacements, can be computed from first-principles by different techniques. Its band-b…