Halfmetallic ferromagnetic properties of Cr,V doped AlP semiconductors

Using the full potential linearized augmented plane-wave (FP-LAPW) calculations with generalized gradient approximation functional (GGA), we investigated the structural, electronic and magnetic properties of the family compounds AlP as ternary diluted semiconductors (DMS)s Al1x(Cr,V)xP with concentration of 0.25, 0.125 and 0.0625 in zinc blende phase (B3). The interaction of 3d orbital of transition metal with the 3p states of the four phosphorus atoms who occupy the summits of the tetrahedron resulting from SP3 hybridization, stabilize more the phenomena of magnetization by the effect of Zener's p-d exchange. The analyses of electronic and magnetic properties using the total and partial density of state and bands structure show that Al1xCrxP and Al1_xVxP are spin-polarized with a half-metallic band gap. We seem that these materials will be among the good candidates for spintronic applications.

Autorentext

Boutaleb Miloud is Professor at Moulay Taher University of Saida, Algeria. He is a Doctor in Physical Chemistry Science, member of the Doctoral Training Committee in Physics of Radiation and Researcher Teacher in the Chemistry Department at the same University. Author is a reviewer at a journal of scientific research.