Enhanced spin polarization at n-MnSb(0001)/InP(111) interface

We studied the electronic and structural properties of the interfaces between the niccolite (n-) polymorph of ferromagnetic MnSb and the binary semiconductor InP along the MnSb(0001)/InP(111) direction. Plane-wave pseudopotential ab-initio electronic structure calculations were used. The Mn-to-P interface becomes 63.0% spin-polarized, much higher than the bulk polarization. The other three possible interfaces for contacts retain their ferromagnetism at the interface. Adhesion energy of the Mn-to-P interface is 63meV/Å, larger than the other terminations, and it has the shortest interlayer bond distance of 2.43 Å. The high interface spin polarization of the favorable Mn-to-P interface is advantageous for spin transport.