Predicting Accurate Phonon Spectra: An Improved Description of Lattice Dynamics in Thermoelectric Clathrates Based on the SCAN Meta-GGA Functional
Wissenschaftlicher Artikel
Authors
Euchner, Holger
Gross, Axel
Faculties
Fakultät für NaturwissenschaftenInstitutions
Helmholtz-Institut UlmInstitut für Theoretische Chemie
Published in
Chemistry of Materials ; 31 (2019), 7. - S. 2571-2576. - ISSN 0897-4756. - eISSN 1520-5002
Link to publication
https://dx.doi.org/10.1021/acs.chemmater.9b00216Dewey Decimal Group
DDC 540 / Chemistry & allied sciencesDDC 620 / Engineering & allied operations