Cairo University

MTPR Journal


Spin and Charge Density Maps of Nd2Fe14B

& doi:
Abeer E. Aly

The total charge density and the spin density are obtained by taking the sum or the difference of the spin-up and spin-down charge densities, respectively. We performed a pure spin polarized calculations on Nd2Fe14B using the self consistent Full Potential Linearized Augmented Plane Wave (FPLAPW).In this paper, we present the spin and charge density contours for rare-earth transition metal compounds e.g. Nd2Fe14B in the (001) and (110) planes using spin-polarized without spin-orbit coupling. The charge density map and the spin density map on the (001) and (110) plane of the tetragonal cell show the evidence for covalent bonding between Fe and B atoms.