dc.contributor.author | Uzunok, HY | |
dc.contributor.author | Bagci, S | |
dc.contributor.author | Karaca, E | |
dc.contributor.author | Tütüncü, HM | |
dc.contributor.author | Srivastava, GP | |
dc.date.accessioned | 2021-02-05T13:27:56Z | |
dc.date.issued | 2020-10-22 | |
dc.description.abstract | We 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.citation | Vol. 102, article 134508 | en_GB |
dc.identifier.doi | 10.1103/PhysRevB.102.134508 | |
dc.identifier.uri | http://hdl.handle.net/10871/124619 | |
dc.language.iso | en | en_GB |
dc.publisher | American Physical Society | en_GB |
dc.rights | ©2020 American Physical Society | en_GB |
dc.title | First-principles calculations of physical properties and superconductivity of orthorhombic ScRuSi and ZrRhSi | en_GB |
dc.type | Article | en_GB |
dc.date.available | 2021-02-05T13:27:56Z | |
dc.identifier.issn | 2469-9950 | |
dc.description | This is the final version. Available from the American Physical Society via the DOI in this record. | en_GB |
dc.identifier.eissn | 2469-9969 | |
dc.identifier.journal | Physical Review B | en_GB |
dc.rights.uri | http://www.rioxx.net/licenses/all-rights-reserved | en_GB |
dcterms.dateAccepted | 2020-10-09 | |
rioxxterms.version | VoR | en_GB |
rioxxterms.licenseref.startdate | 2020-10-22 | |
rioxxterms.type | Journal Article/Review | en_GB |
refterms.dateFCD | 2021-02-05T13:26:12Z | |
refterms.versionFCD | VoR | |
refterms.dateFOA | 2021-02-05T13:28:02Z | |
refterms.panel | B | en_GB |