محاسبه ميدان مغناطيسي فوق ريز در مكان هسته هاي FE و RH و CD و SN در بلور كروم

Hyperfine field on Fe, Rh, Cd and Sn nucleus probes in chromium host

The incommensurate spin -density -wave magnetism of Cr has attracted great interest since its discovery via neutron scattering. Although the existence of spin- density -wave has been confirmed by experiment but the calculations which have been carried out have not been able to predict the correct ground state magnetic phase for chromium yet. To predict the magnetic hyperfine field at nucleus of different impurities in Cr host, we calculated the hyperfine field on Cd, Sn, Rh and Fe probes in the first step. Our calculations were performed within the framework of density functional theory, using the full-potential-linearized.augmented plane-wave method. We used a supercell constructed from 8 bcc unit cells with impurity concentratin of 6.25 % and to anatysise the supercell size effect on different magnetic quantities we repeated our calculation using a supercell with 54 atoms. The result of this effort showed that the magnetic hyperfine field and magnetic moment of nearesrt Cr is very little influenced by the size of supercell, so we can calculate the magnetic hyperfine field if itʹs quantity is known in different alloys. we showed that the local properties such as hyperfine field, are calculated with acceptable accuracy by using small supercelts. Meanwhile, we studied the structural and magnetic properties of different alloys and showed that the Fe alloy has two defferent magnetic phase.