| Yazarlar |
Doç. Dr. Osman ÖRNEK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Ahmet Sefa Meriç
|
Doç. Dr. Murat ÇANLI
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Mustafa ÖZDURAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Nihat Arıkan
Osmaniye Korkut Ata Üniversitesi, Türkiye |
| Özet |
| The structural, magnetic, electronic and elastic properties of ternary and quaternary (Ti1-xVx)(2)FeGa alloys with inverse-Heusler (XA) structure were investigated at x = 0, 0.25, 0.50, 0.75, and 1. The crystal structures of (Ti1 - xVx)(2)FeGa compounds are cubic (space group: F (3) over barm) with Hg2CuTi prototype for x = 0 and 1. At x = 0.5 the structure is also cubic (space group: F (3) over barm) with LiMgPdSn protype, while it is tetragonal (space group: P m2) at x = 0.25 and 0.75. Calculated optimized lattice parameters (a and c), bulk modulus (B), and elastic constants (C-ij) are consistent with the available data in the literature. Total and partial magnetic moments of (Ti1 - xVx)(2)FeGa alloys were obtained. An increase in the total magnetic moment values were observed upon addition of V to the Ti2FeGa alloy. From spin polarized band calculations, Ti2FeGa, (Ti0.75V0.25)(2)FeGa, TiVFeGa, and V2FeGa have a minority-spin energy gap of 0.65, 0.38, 0.83, and 0.64 eV, respectively, and they are guessed as half-metallic ferromagnets. According to the results of second-order elastic constants, these compounds met the Born mechanical stability criteria. In addition, according to Pugh criteria, it was found that they have a ductile structure and show anisotropic behavior. |
| Anahtar Kelimeler |
| ab initio calculations | band calculations | mechanical properties | Heusler phase |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A |
| Dergi ISSN | 0036-0244 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q4 |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2021 |
| Cilt No | 95 |
| Sayı | 13 |
| Sayfalar | 2592 / 2599 |
| Doi Numarası | 10.1134/S003602442113015X |
| Makale Linki | http://dx.doi.org/10.1134/s003602442113015x |
| Atıf Sayıları | |
| WoS | 3 |
| Google Scholar | 6 |
