First principles electronic structure calculations of Co2CrBi Heusler system
Yazarlar (1)
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Physica B Condensed Matter (Q3) | ||
| Dergi ISSN | 0921-4526 Dergi Bilgileri (2010) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2010 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2010 |
| Cilt / Sayı / Sayfa | 405 / 9 / 2162–2165 | DOI | 10.1016/j.physb.2010.01.126 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0921452610001559 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| 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 5.05μB, which is largely localized at chromium site with μCr=3.35μB. 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. |
| Anahtar Kelimeler |
| Ab initio calculations | Electronic structure | Half-metals | Magnetic materials |
Science Direct
First principles electronic structure calculations of Co2CrBi Heusler system
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 8 |
| Scopus | 9 |
| Google Scholar | 4 |