Magnetic Properties and Electronic Structure of ThCo<sub>4</sub>B
Magnetic Properties and Electronic Structure of ThCo<sub>4</sub>B作者机构：Physics Faculty of Science at Damietta Mansoura University New Damietta Egypt Physics Faculty of Science Helwan University Cairo Egypt Physics Higher Institute of Engineering Shourok Academy Cairo Egypt
出 版 物：《Modeling and Numerical Simulation of Material Science》 (材料科学建模与数值模拟（英文）)
年 卷 期：2012年第2卷第3期
页 面：51-59页
主 题：ThCo4B Electronic Structure Spin Density Map
摘 要：We present density functional theory DFT ab initio calculation of the electronic and magnetic properties of ThCo4B compound using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method as implemented in the Wien2k package. The influence of the local environment on the Co magnetic moments is discussed by comparing the magnetic and electronic properties of ThCo4B to its parent ThCo5 compound. The total magnetic moment in these two compounds is dominated by the Co moment. The Spin orbit interaction affects the electronic structure and spin-density maps of the p-state of Th.
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