84 citations · 171 across the 5 of their papers we have counts for
5 papers
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…
Phase stability and physical properties of Ta5Si3 compounds from first-principles calculations,
Xiaoma Tao, Philippe Jund, Catherine Colinet +1
We present a study of the thermodynamic and physical properties of Ta5Si3 compounds by means of density functional theory based calculations. Among the three different structures (…
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…