Author(s)

Mohammed Said Mohammed Abu-Elmagd, Samy Hashim Aly, Sherif Yehia

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.

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.

ThCo₄B; Electronic Structure; Spin Density Map

M. Abu-Elmagd, S. Aly and S. Yehia, "Magnetic Properties and Electronic Structure of ThCo₄B," Modeling and Numerical Simulation of Material Science, Vol. 2 No. 3, 2012, pp. 51-59. doi: 10.4236/mnsms.2012.23006.