Akademik Məlumat İdarəetmə Sistemi
Physica Status Solidi (B) Basic Research, vol.260, no.2, 2023 (SCI-Expanded, Scopus)
The aim is to examine the spin-polarized electronic band structures, the density of states (DOS) as well as magnetism of CoxZn1−xSe and NixZn1−xSe diluted magnetic semiconductors (DMSs) in the ferromagnetic (FM) phase, and with 12.5% and 6.25% concentrations of impurity. The calculations are implemented by the recent ab initio norm-conserving FHI pseudopotential method within the local spin density approximation and Hubbard U (LSDA + U) method. The analysis of the total DOS (TDOS) curves shows the half-metallic FM character for Ni-doped and (Co, Ni)-co-doped ZnSe with a half-metallic bandgap of 1 ÷ 1.6 eV. The exchange splittings produced by dopant d states are determined: for the CoxZn1−xSe, it is obtained that the effective potential for the majority spin is more attractive than for the minority spin. The total magnetic moments of Co-doped, Ni-doped, and co-doped ZnSe DMSs are found to be equal to 3, 4, and 5.0 μB, respectively. The Curie temperature of NixZn1−xSe is higher than room temperature and this is half-metallic ferromagnetic (HMFM) material for spintronics application. Co-doped ZnSe is an excellent choice for electronic devices owing to its below Curie temperature.