Magnetic and Electronic Structure Calculations of Rare-Earth Nitrides
Magnetic and Electronic Structure Calculations of Rare-Earth Nitrides作者机构：Department of Physics Mizoram University Tanhril 796009 Aizawl Mizoram India Condensed Matter Physics Research Center New Horizon Institute Butwal RupendehL Nepal Faculty of Science Nepal Academy of Science and Technology Khumaltar G.P.O. 3323 Kathmandu Nepal
出 版 物：《材料科学与工程（中英文A版）》 (Journal of Materials Science and Engineering A)
年 卷 期：2011年第1卷第1X期
页 面：53-57页
学科分类：081702[工学-化学工艺] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学]
主 题：稀土氮化物 电子结构 计算密度 全势线性缀加平面波 自旋电子学 磁性 密度泛函理论 过滤装置
摘 要：A broad range of applications in spintronics and spin-filtering devices are found in rare earth nitrides due to its half-metallic behaviour and high magnetic moments. We intend to study the electronic and magnetic properties of REN in the frame work of density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method. It was found from the computed density of states (DOS) and the band structures that the total DOS of EuN is contributed mainly by the 4f-state electrons of the Eu atom. In the case of SmN and EuN, we fill the majority spin f states and create an exchange field that is felt by the other electrons in the material whose effect is more pronounced and leads to a significant-splitting of the nitrogen p bands.
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