Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds
Yazarlar (5)
Gökhan Sürücü Middle East Technical University (Metu), Türkiye
Mehmet Işık Atilim University, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Xiaotian Wang Southwest University, Çin
Hasan Hüseyin Güllü
Atilim University, Türkiye
Atilim University, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Physica B Condensed Matter | ||
| Dergi ISSN | 0921-4526 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2020 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | 01-06-2020 |
| Cilt / Sayı / Sayfa | 587 / 1 / 412146–0 | DOI | 10.1016/j.physb.2020.412146 |
| Makale Linki | https://hdl.handle.net/11511/56754 | ||
| Özet |
| 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 α, β and γ structural phases, γ-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 γ-phase XCoBi compounds have been analyzed and the most stable order has been found as paramagnetic nature. The theoretical studies on γ-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 γ-phase is also mechanically stable for all … |
| Anahtar Kelimeler |
| Electronic structures | First principles | Half-Heusler | Phonon |
Science Direct
Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 52 |
| Scopus | 15 |