Investigating the Effect of Tc Doping on the Electronic, and Magnetic Properties of GaSb: A First-Principle Study

To the best of our knowledge, the First Principle Study in the effect of Tc-doped GaSb to find structural, electronic and magnetic properties have not yet been investigated, despite some works having been done using Mn and Fe atoms in the material as dopants. In this work, spininduced magnetic phenomena, electronic structure in the nonmagnetic semiconductor GaSb are studied using Technetium (Tc) as a dopant alloy. The suggested material structure is simulated using the Quantum Espresso simulation, which calls for the geometrical optimization of Ga-Tc-Sb by the use of GGA-PBE functionals. The band structures and asymmetric density of states simulated in the present study demonstrate that Ga1-xTcxSb (x=0.0625, 0.125, 0.25, 0.50) exhibits the promising spintronics behavior. Besides, with significant rise in both total and absolute magnetization with higher Tc doping concentrations suggests that Tc-doped GaSb follows ferromagnetic ordering. This doped material almost showed saturated bandgap of 2.18eV for similar doping concentration of Tc. By analyzing total energy it has been found that the structure remains stable in the range of following doping concentration of Tc. Overall, the modeling results show that the partially Tc-doped GaSb has a ferromagnetic property and a good bandgap, so it could be used as a spintronic material in magnetic devices.