Show simple item record

dc.contributor.authorUzunok, HY
dc.contributor.authorBagci, S
dc.contributor.authorKaraca, E
dc.contributor.authorTütüncü, HM
dc.contributor.authorSrivastava, GP
dc.date.accessioned2021-02-05T13:27:56Z
dc.date.issued2020-10-22
dc.description.abstractWe have performed ab initio pseudopotential calculations of the structural, electronic, elastic, mechanical, vibrational, electron-phonon interaction, and superconducting properties of ScRuSi and ZrRhSi. An assessment of their elastic and mechanical properties reveals that ScRuSi is a ductile compound, while ZrRhSi is a brittle compound. For both compounds electronic energy bands in the vicinity of the Fermi level originate from the d states of transition-metal atoms. The Eliashberg spectral function reveals that low-frequency phonon modes due to coupled motions of transition-metal atoms are more involved in the process of scattering of electrons than the high-frequency modes due to the vibrations of Si atoms. The average electron-phonon coupling parameter is calculated to be 0.54 for ScRuSi and 0.84 for ZrRhSi from the integration of the Eliashberg spectral function. It is found that the relatively weaker electron-phonon interaction in ScRuSi makes its superconducting transition temperature value (Tc=3.23 K) considerably lower than that of ZrRhSi (Tc=10.45 K).en_GB
dc.identifier.citationVol. 102, article 134508en_GB
dc.identifier.doi10.1103/PhysRevB.102.134508
dc.identifier.urihttp://hdl.handle.net/10871/124619
dc.language.isoenen_GB
dc.publisherAmerican Physical Societyen_GB
dc.rights©2020 American Physical Societyen_GB
dc.titleFirst-principles calculations of physical properties and superconductivity of orthorhombic ScRuSi and ZrRhSien_GB
dc.typeArticleen_GB
dc.date.available2021-02-05T13:27:56Z
dc.identifier.issn2469-9950
dc.descriptionThis is the final version. Available from the American Physical Society via the DOI in this record. en_GB
dc.identifier.eissn2469-9969
dc.identifier.journalPhysical Review Ben_GB
dc.rights.urihttp://www.rioxx.net/licenses/all-rights-reserveden_GB
dcterms.dateAccepted2020-10-09
rioxxterms.versionVoRen_GB
rioxxterms.licenseref.startdate2020-10-22
rioxxterms.typeJournal Article/Reviewen_GB
refterms.dateFCD2021-02-05T13:26:12Z
refterms.versionFCDVoR
refterms.dateFOA2021-02-05T13:28:02Z
refterms.panelBen_GB


Files in this item

This item appears in the following Collection(s)

Show simple item record