Data publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory

DOI

Simulation and literature data on the electrical and thermal conductivity of high-pressure iron. The raw simulation data was generated from time-dependent density functional theory calculations. Post-processing was applied to obtain the transport properties (conductivities) as described in the associated journal publication. The literature data was compiled from available publication data as referenced in the associated journal publication.

Identifier
DOI https://doi.org/10.14278/rodare.2499
Related Identifier https://doi.org/10.1088/2516-1075/acfd75
Related Identifier https://www.hzdr.de/publications/Publ-37622
Related Identifier https://www.hzdr.de/publications/Publ-37621
Related Identifier https://doi.org/10.14278/rodare.2498
Related Identifier https://rodare.hzdr.de/communities/rodare
Metadata Access https://rodare.hzdr.de/oai2d?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:rodare.hzdr.de:2499
Provenance
Creator Ramakrishna, Kushal ORCID logo; Lokamani, Mani ORCID logo; Baczewski, Andrew; Vorberger, Jan ORCID logo; Cangi, Attila (ORCID: 0000-0001-9162-262X)
Publisher Rodare
Publication Year 2023
Rights Creative Commons Attribution 4.0 International; Open Access; https://creativecommons.org/licenses/by/4.0/legalcode; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://rodare.hzdr.de/support
Representation
Resource Type Dataset
Discipline Life Sciences; Natural Sciences; Engineering Sciences