Digital magnetic heterostructures based on GaN using GGA-1/2 approach

摘要

We present ab-initio calculations of seven digital magnetic heterostructures, GaN (5-doped with V, Cr, Mn, Fe, Co, Ni, and Cu, forming two-dimensional systems. Only GaN (5-doped with V or Cr present a ferromagnetic ground state with high Curie temperatures. For both, to better describe the electronic properties, we used the GGA-1/2 approach. The ground state of GaN/Cr resulted in a two dimensional half-metal, with 100% spin polarization. For GaN/V, we obtained an insulating state: integer magnetic moment of 2.0 μ_B, a minority spin gap of 3.0eV close to the gap of GaN, but a majority spin gap of 0.34eV.