Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN

Supplemental Material included detailed information, including computational details, convergence testing of k_ph relative to the cutoff for third-order IFCs, fine grid size used for calculating phonon-electron scattering rates, lattice parameters, temperature-dependent contributions to thermal cond...

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Detalles Bibliográficos
Autores: Kundu, Ashis, Chen, Yani, Yang, Xiaolong, Meng, Fanchen, Carrete, Jesús, Kabir, Mukul, Madsen, Georg K.H., Li, Wu
Tipo de recurso: conjunto de datos
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/350967
Acceso en línea:http://hdl.handle.net/10261/350967
Access Level:acceso abierto
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spelling Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaNKundu, AshisChen, YaniYang, XiaolongMeng, FanchenCarrete, JesúsKabir, MukulMadsen, Georg K.H.Li, WuSupplemental Material included detailed information, including computational details, convergence testing of k_ph relative to the cutoff for third-order IFCs, fine grid size used for calculating phonon-electron scattering rates, lattice parameters, temperature-dependent contributions to thermal conductivity, scaled phonon dispersion, phonon renormalization, process-specific scattering rates and spectral contributions, weighted phase space, phonon-electron scattering rates, electronic band structures, and Fermi surfaces for different pressures.Peer reviewedAmerican Physical SocietyConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242024info:eu-repo/semantics/datasethttp://purl.org/coar/resource_type/c_ddb1application/pdfhttp://hdl.handle.net/10261/350967reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésKundu, Ashis; Chen, Yani; Yang, Xiaolong; Meng, Fanchen; Carrete, Jesús; Kabir, Mukul; Madsen, Georg K.H.; Li, Wu. Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN. https://doi.org/10.1103/PhysRevLett.132.116301. http://hdl.handle.net/10261/350961Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3509672026-05-22T06:33:51Z
dc.title.none.fl_str_mv Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
title Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
spellingShingle Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
Kundu, Ashis
title_short Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
title_full Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
title_fullStr Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
title_full_unstemmed Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
title_sort Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
dc.creator.none.fl_str_mv Kundu, Ashis
Chen, Yani
Yang, Xiaolong
Meng, Fanchen
Carrete, Jesús
Kabir, Mukul
Madsen, Georg K.H.
Li, Wu
author Kundu, Ashis
author_facet Kundu, Ashis
Chen, Yani
Yang, Xiaolong
Meng, Fanchen
Carrete, Jesús
Kabir, Mukul
Madsen, Georg K.H.
Li, Wu
author_role author
author2 Chen, Yani
Yang, Xiaolong
Meng, Fanchen
Carrete, Jesús
Kabir, Mukul
Madsen, Georg K.H.
Li, Wu
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description Supplemental Material included detailed information, including computational details, convergence testing of k_ph relative to the cutoff for third-order IFCs, fine grid size used for calculating phonon-electron scattering rates, lattice parameters, temperature-dependent contributions to thermal conductivity, scaled phonon dispersion, phonon renormalization, process-specific scattering rates and spectral contributions, weighted phase space, phonon-electron scattering rates, electronic band structures, and Fermi surfaces for different pressures.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/dataset
http://purl.org/coar/resource_type/c_ddb1
format dataset
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/350967
url http://hdl.handle.net/10261/350967
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Kundu, Ashis; Chen, Yani; Yang, Xiaolong; Meng, Fanchen; Carrete, Jesús; Kabir, Mukul; Madsen, Georg K.H.; Li, Wu. Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN. https://doi.org/10.1103/PhysRevLett.132.116301. http://hdl.handle.net/10261/350961
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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