119 citations · 514 across the 15 of their papers we have counts for
9 papers · 1 filter
Phonon Spectra in the Parent Superconducting Iron-tuned Telluride FeTe from Inelastic Neutron Scattering and Ab Initio Calculations
Mohamed Zbiri, Romain Viennois
We report inelastic neutron scattering measurements of phonon spectra in the parent superconductor iron-tuned chalcogenide FeTe, for two different x contents (x 0.11…
Physical properties of the thermoelectric cubic lanthanum chalcogenides La3-yX4 (X=S,Se,Te) from first-principles
Romain Viennois, Kinga Niedziolka, Philippe Jund
We report ab-initio calculations of the stability, lattice dynamics, electronic and thermoelectric properties of cubic La3-yX4 (X=S,Se,Te) materials in view of analyzing their pote…
Lattice stability and formation energies of intrinsic defects in Mg2Si and Mg2Ge via first principles simulations
Philippe Jund, Romain Viennois, Catherine Colinet +3
We report an ab initio study of the semiconducting Mg2X (with X = Si, Ge) compounds and in particular we analyze the formation energy of the different point defects with the aim to…
Physical properties of thermoelectric zinc antimonide using first-principles calculations
Philippe Jund, Romain Viennois, Xiaoma Tao +2
We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrin…
Physical properties of Thallium-Tellurium based thermoelectric compounds using first-principles simulations
Xiaoma Taoa, Philippe Jund, Romain Viennois +1
We present a study of the thermodynamic and physical properties of Tl5Te3, BiTl9Te6 and SbTl9Te6 compounds by means of density functional theory based calculations. The optimized l…
Effect of doping on the thermoelectric properties of thallium tellurides using first principles calculations
Philippe Jund, Xiaoma Tao, Romain Viennois +1
We present a study of the electronic properties of Tl5Te3, BiTl9Te6 and SbTl9Te6 compounds by means of density functional theory based calculations. The optimized lattice constants…
Stability and thermoelectric properties of transition metal silicides from first principles calculations
P. Jund, X. Tao, R. Viennois +2
We report an ab-initio study of the stability and electronic properties of transition metal silicides in order to study their potential for high temperature thermoelectric applicat…
Spin Glass ground state in MnCoSi
J. Teyssier, E. Giannini, V. Guritanu +4
We report the discovery of a new spin glass ground state in the transition metal monosilicides with the B20 crystallographic structure. Magnetic, transport, neutron and muon invest…
Experimental and First principle calculation of Co_xNi_{(1-x)}Si solid solution structural stability
J. Teyssier, R. Viennois, J. Salamin +2
We report the investigation of the structural stability of CoNiSi monosilicides for . As CoSi crystallizes in the FeSi-type structure (B20) and NiSi is stable…