Transition metal doped (9,0) GaAs nanotube; a diluted magnetic semiconductor

The electronic structure and magnetic properties of (9,0) zigzag gallium arsenide nanotube (GaAsNT) dopedwith 3d transition metal (Fe,V and Mn) were studied based on spin polarized density functional theory using the LocalDensity Approximation (LDA). It is revealed that doping of 5.5% Fe, Mn and V concentrations substituted in Ga sites,introduce total magnetic moments of 4.99 B, 4.012 B and 2 B respectively. The unique structure of spin-polarizedenergy levels are primarily attributed to strong hybridization of 3d transition metal and its nearest-neighbor 4p-Asorbitals. Our calculations revealed that the geometry with Fe substituted Ga is more stable than Mn and V doping andhave the largest total magnetic moment. The spin polarized electronic structure calculations revealed that by Fe dopant(9,0) (Ga,TM)AsNT show semiconducting behavior while Mn and V dopants show half metallic behavior. Our researchcan provide guidance for the experiment upon diluted magnetic semiconductors (DMSs) and systemic investigationin 3d transitional metals. We suggest that GaAs nanotubes doped by transition metals would have application potentialas a spin polarized electron source for spintronic devices in the future.

کلیدواژه ها:

GaAs nanotube ، DMS ، Spintronic ، DFT ، transition metal