Structural, Electronic, and Magnetic Properties of Hard Magnetic SmNi2Fe Compound: a DFT Study
Yazarlar (3)
Adiyaman Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Mustafa ÖZDURAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Superconductivity and Novel Magnetism (Q4) | ||
| Dergi ISSN | 1557-1939 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2019 |
| Cilt / Sayı / Sayfa | 32 / 12 / 3901–3905 | DOI | 10.1007/s10948-019-05159-9 |
| Makale Linki | http://link.springer.com/10.1007/s10948-019-05159-9 | ||
| Özet |
| Permanent magnets with high magnetic properties are used in many areas like motors, generators, magnetic separators, handles, electron tubes, magnetic resonance imaging systems, health, electronics, automotive, and mining. Due to their easy and inexpensive production methods, most common permanent magnets are ferrite magnets. However, the quest for finding new and alternative permanent magnets is still in progress. Thus, in this study, lattice parameters (a, c), equilibrium lattice volume (V), density (rho), formation energy (E-f), Wyckoff positions, magnetic moments, density of states. and electronic band structure of SmNi2Fe are investigated using density functional theory (DFT) calculations. For exchange-correlation relations, PBE method within generalized gradient approximation (GGA) and (GGA + U) is used. With a 8.628 mu(B) (GGA) and 9.886 mu(B) (GGA + U) total magnetic moment, SmNi2Fe shows a strong permanent magnetism. Obtained negative formation enthalpy of SmNi2Fe (- 1.526 eV/f.u.) clearly shows that studied material can be synthesized experimentally. Besides, density of states and spin polarized electronic band structures indicate that SmNi2Fe is metallic. Calculated lattice parameters of SmNi2Fe are in good agreement with literature. |
| Anahtar Kelimeler |
| Permanent magnets, Density functional theory (DFT), Magnetic moment, Formation enthalpy, Electronic properties |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 2 |
| Google Scholar | 2 |