257 citations · 454 across the 6 of their papers we have counts for
6 papers
Nonlinear optics of III-V semiconductors in the terahertz regime: an ab-initio study
Eric Roman, Jonathan R. Yates, Marek Veithen +2
We compute from first principles the infrared dispersion of the nonlinear susceptibility in zincblende semiconductors. At terahertz frequencies the nonlinear susceptibili…
Unusual behaviour of the ferroelectric polarization in PbTiO/SrTiO superlattices
M. Dawber, C. Lichtensteiger, M. Cantoni +5
Artificial PbTiO/SrTiO superlattices were constructed using off-axis RF magnetron sputtering. X-ray diffraction and piezoelectric atomic force microscopy were used to s…
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…
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…
First-principles study of the electrooptic effect in ferroelectric oxides
Marek Veithen, Xavier Gonze, Philippe Ghosez
We present a method to compute the electrooptic tensor from first principles, explicitly taking into account the electronic, ionic and piezoelectric contributions. It allows us to…
Electron localization : band-by-band decomposition, and application to oxides
M. Veithen, X. Gonze, Ph. Ghosez
Using a plane wave pseudopotential approach to density functional theory we investigate the electron localization length in various oxides. For this purpose, we first set up a theo…