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We present a computationally efficient transferable single-band tight-bindingmodel (SBTB) for spin polarized transport in heterostructures with an effort tocapture the band structure effects. As an example, we apply it to studytransport through Fe-MgO-Fe(100) magnetic tunnel junction devices. We propose anovel approach to extract suitable tight-binding parameters for a material byusing the energy resolved transmission as the benchmark, which inherently hasthe bandstructure effects over the two dimensional transverse Brillouin zone.The SBTB parameters for each of the four symmetry bands for bcc Fe(100) arefirst proposed which are complemented with the transferable tight-bindingparameters for the MgO tunnel barrier for the Delta_1 and Delta_5 bands. Thenon-equilibrium Green's function formalism is then used to calculate thetransport. Features like I-V characteristics, voltage dependence and thebarrier width dependence of the tunnel magnetoresistance ratio are capturedquantitatively and the trends match well with the ones observed by ab initiomethods.

Single-band tight-binding parameters for Fe-MgO-Fe magnetic heterostructures