Abstract
The electronic structure and magnetic properties of the binary alloys CoxNb1-x have been investigated by means of the density functional theory (DFT), implemented in the WIEN2k code. The exchange and correlation potential was processed by different approximations GGA and GGA + U including the spin orbit coupling (SOC) effect. The inclusion of SOC shows a very weak effect on the cobalt magnetic moments, However, Hubbard's correction induces a considerable improvement in the magnetic moment of the Co element. The calculation shows that the density of state (DOS) of the Co element is dominated by the 3d band state contribution, whereas the Nb state density is dominated by the 4d band states. Hybridization between the 3d-(Co) and 4d-(Nb) states in Co-Nb alloys reduces the spin polarization of 3d-(Co) states, resulting in a strong decrease in magnetic moment. The magnetic moment of the studied alloys is not only influenced by cobalt atom concentration but it is also influenced by the crystalline phase.
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