Structural, electronic, elastic, magnetic, phonon and thermodynamic properties of inverse-Heusler-Ti2FeX (X=Si, Ge, and Sn): Insights from DFT-based computer simulation
Yazarlar (5)
Prof. Dr. Mustafa ÖZDURAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Mustafa Oğuzhan Altay Kırşehir Ahi Evran Üniversitesi
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Murat ÇANLI Kırşehir Ahi Evran Üniversitesi, Türkiye
Nihat Arıkan Osmaniye Korkut Ata University, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Materials Today Communications (Q2) | ||
| Dergi ISSN | 2352-4928 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 01-2021 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 26 / 1 / 102036–0 | DOI | 10.1016/J.MTCOMM.2021.102036 |
| Makale Linki | http://dx.doi.org/10.1016/j.mtcomm.2021.102036 | ||
| Özet |
| The structural, mechanical, electronic and lattice dynamic properties of Ti2FeX (X = Si, Ge, and Sn) inverse-Heusler alloys have been explored via first-principles calculations based on density functional theory. The equilibrium lattice constant, bulk modulus, electronic band structure and magnetic moment values of these alloys have been computed to be consistent with prior studies. Several mechanical parameters such as elastic constants Cij, bulk modulus B, Young modulus E, shear modulus G and Poisson’s ratio υ are calculated, and based on these calculations, mechanical stability is examined. The calculated values of the total magnetic moments are in close agreement with the existing theoretical data and comply with the Slater-Pauling rule. From their calculated electronic band structure, Ti2FeSi, Ti2FeGe and Ti2FeSn are found as half-metallic alloys at the equilibrium lattice constant with a minority-spin … |
| Anahtar Kelimeler |
| Band structure | Elastic constants | Inverse-Heusler | Magnetic moment | Phonon |
Science Direct
Structural, electronic, elastic, magnetic, phonon and thermodynamic properties of inverse-Heusler-Ti2FeX (X=Si, Ge, and Sn): Insights from DFT-based computer simulation
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 17 |
| Scopus | 11 |
| Web of Science | 13 |