A computational study of the epitaxial Co2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive (TMR) devices is presented. Employing ab initio atomistic thermodynamics, we show that the Co- or MnSi-planes of bulk-terminated Co2MnSi form stable interfaces, while pure Si or pure Mn termination requires non-equilibrium conditions. Except for the pure Mn interface, the half-metallic property of bulk Co2MnSi is disrupted by interface bands. Even so, at homogeneous Mn or Co interfaces these bands contribute little to the minority-spin conductance through an MgO barrier, and hence such terminations could perform strongly in TMR devices.
@article{arxiv.0903.2228,
title = {Structural stability, magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density functional theory study},
author = {B. Hülsen and M. Scheffler and P. Kratzer},
journal= {arXiv preprint arXiv:0903.2228},
year = {2009}
}