Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Rasmus Tranås"'
Publikováno v:
Electronic Materials, Vol 3, Iss 1, Pp 1-14 (2022)
Low thermal conductivity is an important materials property for thermoelectricity. The lattice thermal conductivity (LTC) can be reduced by introducing sublattice disorder through partial isovalent substitution. Yet, large-scale screening of material
Externí odkaz:
https://doaj.org/article/7351ee7a04df452489ce8d2e01ff9089
Publikováno v:
Applied Physics Letters
A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, a number of compounds m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21e91f57d2f7f1ba1f345591f11f9b24
https://hdl.handle.net/11250/2989915
https://hdl.handle.net/11250/2989915
Publikováno v:
Computational Materials Science
Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed using density functional theory (DFT), typically at a high computational cost. Training machine learning m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b25446f618f343ab0972418349763bb0
https://doi.org/10.1016/j.commatsci.2021.110938
https://doi.org/10.1016/j.commatsci.2021.110938