Research Information System
Ukrainian Journal of Physics, vol.69, no.10, pp.754-758, 2024 (ESCI, Scopus)
The density functional theory calculations using general gradient approximation (GGA) have been systematically performed to study the electronic structures, the density of states (DOS), and magnetic properties of V-doped GaN nanosheet for different dopant concentrations (2.08% and 4.16%). We conducted the entire study using the Atomistix ToolKit code. The electronic properties were improved with the Hubbard values U = 4 eV. V-doped CaN nanosheet exhibits stable ferromagnetic (FM) states relative to corresponding antiferromagnetic (AFM) states. The calculated TC with the V-doping is found to be above the room temperature (RT) one. Calculation results reveal that V-doped nanosheets may be good candidates for spintronics due to their good half-metal ferromagnetism.