DFT calculations with PBE, PBEsol and LDA show that functional choice changes predicted lattice thermal conductivity and the temperature-length windows for phonon hydrodynamics, with new predictions reported for NaH, LiH, KH, KF, NaCl and KCl.
Otero-de-la-Roza and V
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
citation-role summary
baseline 1
citation-polarity summary
fields
cond-mat.mes-hall 1years
2023 1verdicts
UNVERDICTED 1roles
baseline 1polarities
baseline 1representative citing papers
citing papers explorer
-
Impact of Exchange-Correlation Functionals on Predictions of Phonon Hydrodynamics: A Study of Fluorides, Chlorides, and Hydrides
DFT calculations with PBE, PBEsol and LDA show that functional choice changes predicted lattice thermal conductivity and the temperature-length windows for phonon hydrodynamics, with new predictions reported for NaH, LiH, KH, KF, NaCl and KCl.