4 papers
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…
Ab initio lattice thermal conductivity of bulk and thin-film -AlO
Bonny Dongre, Jesús Carrete, Natalio Mingo +1
The thermal conductivities () of bulk and thin-film -AlO are calculated from first principles using both the local density approximation (LDA), and the generalized gr…
Exceptionally strong phonon scattering by B substitution in cubic SiC
Ankita Katre, Jesús Carrete, Bonny Dongre +2
We use ab-initio calculations to predict the thermal conductivity of cubic SiC with different types of defects. An excellent quantitative agreement with previous experimental measu…
Comparison of the Green-Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity
Bonny Dongre, Tao Wang, Georg K. H. Madsen
Different molecular dynamics methods like the direct method, the Green-Kubo (GK) method and homogeneous non-equilibrium molecular dynamics (HNEMD) method have been widely used to c…