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has been cited by the following article:
TITLE: Magnetic Properties and Electronic Structure of ThCo4B
AUTHORS: Mohammed Said Mohammed Abu-Elmagd, Samy Hashim Aly, Sherif Yehia
KEYWORDS: ThCo4B; Electronic Structure; Spin Density Map
JOURNAL NAME: Modeling and Numerical Simulation of Material Science, Vol.2 No.3, July 26, 2012
ABSTRACT: 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.