Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds
dc.authorid | SURUCU, Gokhan/0000-0002-3910-8575 | |
dc.authorid | SURUCU, Gokhan/0000-0002-3910-8575 | |
dc.authorid | WANG, XIAOTIAN/0000-0002-2679-780X | |
dc.authorid | Isik, Mehmet/0000-0003-2119-8266 | |
dc.authorid | Candan, Abdullah/0000-0003-4807-3017 | |
dc.authorscopusid | 35957498000 | |
dc.authorscopusid | 23766993100 | |
dc.authorscopusid | 55626609100 | |
dc.authorscopusid | 56037955300 | |
dc.authorscopusid | 36766075800 | |
dc.authorwosid | SURUCU, Gokhan/JJD-7550-2023 | |
dc.authorwosid | SURUCU, Gokhan/JJE-3168-2023 | |
dc.authorwosid | SURUCU, Gokhan/JJD-3288-2023 | |
dc.authorwosid | GULLU, HASAN HUSEYIN/F-7486-2019 | |
dc.authorwosid | Candan, Abdullah/AAX-5748-2021 | |
dc.authorwosid | WANG, XIAOTIAN/G-3748-2016 | |
dc.authorwosid | Candan, Abdullah/F-9573-2017 | |
dc.contributor.author | Güllü, Hasan Hüseyin | |
dc.contributor.author | Isik, Mehmet | |
dc.contributor.author | Işık, Mehmet | |
dc.contributor.author | Wang, Xiaotian | |
dc.contributor.author | Gullu, Hasan Huseyin | |
dc.contributor.other | Department of Electrical & Electronics Engineering | |
dc.date.accessioned | 2024-07-05T15:30:24Z | |
dc.date.available | 2024-07-05T15:30:24Z | |
dc.date.issued | 2020 | |
dc.department | Atılım University | en_US |
dc.department-temp | [Surucu, Gokhan] Middle East Tech Univ, Dept Phys, TR-06800 Ankara, Turkey; [Surucu, Gokhan] Ahi Evran Univ, Dept Elect & Energy, TR-40100 Kirsehir, Turkey; [Candan, Abdullah] Ahi Evran Univ, Dept Machinery & Met Technol, TR-40100 Kirsehir, Turkey; [Isik, Mehmet; Gullu, Hasan Huseyin] Atilim Univ, Dept Elect & Elect Engn, TR-06836 Ankara, Turkey; [Wang, Xiaotian] Southwest Univ, Sch Phys Sci & Technol, Chongqing 400715, Peoples R China | en_US |
dc.description | SURUCU, Gokhan/0000-0002-3910-8575; SURUCU, Gokhan/0000-0002-3910-8575; WANG, XIAOTIAN/0000-0002-2679-780X; Isik, Mehmet/0000-0003-2119-8266; Candan, Abdullah/0000-0003-4807-3017 | en_US |
dc.description.abstract | Structural, electronic, magnetic, mechanical and lattice dynamical properties of XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds have been investigated according to density functional theory and generalized gradient approximation. Among alpha, beta and gamma structural phases, gamma-phase structure has been found as the most stability characteristics depending on the calculated formation enthalpies, energy-volume dependencies and Cauchy pressures. Energy-volume plots of possible magnetic orders of gamma-phase XCoBi compounds have been analyzed and the most stable order has been found as paramagnetic nature. The theoretical studies on gamma-phase structures resulted in band gap energies of 0.96, 0.99 and 0.98 eV for TiCoBi, ZrCoBi and HfCoBi semiconducting compounds, respectively. Born-Huang criteria applied on elastic constants of interest compounds has indicated that gamma-phase is also mechanically stable for all studied compounds. In addition, various mechanical, lattice dynamical and thermodynamical parameters of XCoBi compounds have been calculated in the present study. | en_US |
dc.description.sponsorship | Ahi Evran University Research Project Unit [PYO-KMY.4001.15.001] | en_US |
dc.description.sponsorship | This work was supported by the Ahi Evran University Research Project Unit under Project No PYO-KMY.4001.15.001. | en_US |
dc.identifier.citation | 37 | |
dc.identifier.doi | 10.1016/j.physb.2020.412146 | |
dc.identifier.issn | 0921-4526 | |
dc.identifier.issn | 1873-2135 | |
dc.identifier.scopus | 2-s2.0-85082874488 | |
dc.identifier.uri | https://doi.org/10.1016/j.physb.2020.412146 | |
dc.identifier.uri | https://hdl.handle.net/20.500.14411/3038 | |
dc.identifier.volume | 587 | en_US |
dc.identifier.wos | WOS:000531598800010 | |
dc.language.iso | en | en_US |
dc.publisher | Elsevier | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Half-Heusler | en_US |
dc.subject | First principles | en_US |
dc.subject | Electronic structures | en_US |
dc.subject | Phonon | en_US |
dc.title | Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds | en_US |
dc.type | Article | en_US |
dspace.entity.type | Publication | |
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