| Yazarlar (1) |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
| Özet |
| First principles calculation results of a new full Heusler system Co2CrBi in stoichiometric composition were presented. The calculations are based on the density functional theory (DFT) within the spin-polarized generalized gradient approximation (σ -GGA) and plane wave pseudopotential method. The system shows nearly half-metallic behavior with very low electronic density of states of minority spins at Fermi level yielding high spin polarization ratio R=0.96. The total magnetic moment of the system was calculated as 5.05 μB, which is largely localized at chromium site with μCr = 3.35 μB. The electronic character of the compound is determined by the 3d electronic states of cobalt and chromium atoms. f-Electronic states of bismuth atom were also included in calculations although it has no distinct effect on electronic structure. The system can be labelled as a new half-metallic material for technological applications. © 2010 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Ab initio calculations | Electronic structure | Half-metals | Magnetic materials |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | PHYSICA B-CONDENSED MATTER |
| Dergi ISSN | 0921-4526 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 05-2010 |
| Cilt No | 405 |
| Sayı | 9 |
| Sayfalar | 2162 / 2165 |
| Doi Numarası | 10.1016/j.physb.2010.01.126 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0921452610001559 |
| Atıf Sayıları | |
| WoS | 8 |
| SCOPUS | 9 |
| Google Scholar | 6 |
