Browsing Brage NMBU by Journals "Applied Physics Letters"
Now showing items 1-1 of 1
-
Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level
(Peer reviewed; Journal article, 2021)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, ...