We investigated the structural, magnetic and electronic properties of NixCr1-x alloy in the range 0.125≤ x ≤0.875 by using FP-LAPW method to solve Kohn-Sham equations. In structural study, we calculated the formation energy, lattice parameter and bulk modulus for bcc and fcc structures within ferromagnetic, ferromagnetic and paramagnetic phases. Our results indicate that the system preference for alloy formation is higher in the range of x=0.625 – 0.75 compared to other studied concentrations. Moreover, by investigation of the values obtained for the lattice parameter and bulk modulus we found out that Cr-Ni bond is weaker than Ni-Ni and Cr-Cr bonds. Additionally, our magnetic results indicate that the magnetic interactions among atoms in bcc structures have probably RKKY behavior. Finally, our results show that the Ni0.75Cr0.25 alloy with fcc structure ans spin polarization of 90% has the highest magnetic and structural stability.
R. Golsorkhtabar, , S. J. Hashemifar, and H. Akbarzadeh, (2019). Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}. Iranian Journal of Physics Research, 7(1), 61-72.
MLA
R. Golsorkhtabar, , , S. J. Hashemifar, , and H. Akbarzadeh, . "Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}", Iranian Journal of Physics Research, 7, 1, 2019, 61-72.
HARVARD
R. Golsorkhtabar , S. J. Hashemifar , H. Akbarzadeh (2019). 'Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}', Iranian Journal of Physics Research, 7(1), pp. 61-72.
CHICAGO
R. Golsorkhtabar, S. J. Hashemifar and H. Akbarzadeh, "Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}," Iranian Journal of Physics Research, 7 1 (2019): 61-72,
VANCOUVER
R. Golsorkhtabar , S. J. Hashemifar , H. Akbarzadeh Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}. Dear user; Recently we have changed our software to Sinaweb. If you had already registered with the old site, you may use the same USERNAME but you need to change your password. To do so at the first use, please choose, 2019; 7(1): 61-72.
