6.2k citations · 9.2k across the 34 of their papers we have counts for
4 papers · 1 filter
Excellent Thermoelectric Performances of Pressure Synthesized ZnSe2
Tiantian Jia, Jesus Carrete, Zhenzhen Feng +3
We calculate the lattice thermal conductivities of the pyrite-type ZnSe2 at pressures of 0 and 10 GPa using the linearized phonon Boltzmann transport equation. We obtain a very low…
A comparative first-principles investigation on the defect chemistry of TiO anatase
Marco Arrigoni, Georg K. H. Madsen
Understanding native point defects is fundamental in order to comprehend the properties of TiO anatase in technological applications. Several first-principles studies have been…
Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si
Bonny Dongre, Jesús Carrete, Shihao Wen +4
The mechanisms causing the reduction in lattice thermal conductivity in highly P- and B-doped Si are looked into in detail. Scattering rates of phonons by point defects, as well as…
Effect of local chemistry and structure on thermal transport in doped GaAs
Ashis Kundu, Fabian Otte, Jesús Carrete +4
Using a first-principles approach, we analyze the impact of \textit{DX} centers formed by S, Se, and Te dopant atoms on the thermal conductivity of GaAs. Our results are in good ag…