Hülsen, Björn; Scheffler, Matthias; Kratzer, Peter:
Structural Stability and Magnetic and Electronic Properties of Co_2MnSi(001)/MgO Heterostructures: A Density-Functional Theory Study
2009
In: Physical Review Letters, Band 103 (2009), S. 046802/1-4
Artikel/Aufsatz in Zeitschrift / Fach: Physik
Titel:
Structural Stability and Magnetic and Electronic Properties of Co_2MnSi(001)/MgO Heterostructures: A Density-Functional Theory Study
Autor(in):
Hülsen, Björn; Scheffler, Matthias; Kratzer, Peter im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr:
2009
Erschienen in:
Physical Review Letters, Band 103 (2009), S. 046802/1-4
DOI:

Abstract:

A computational study of the epitaxial Co_2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive devices is presented. Employing ab initio atomistic thermodynamics, we show that the Co or MnSi planes of bulk-terminated Co_2MnSi form stable interfaces, while pure Si or pure Mn termination requires nonequilibrium conditions. Except for the pure Mn interface, the half-metallic property of bulk Co_2MnSi 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 tunneling magnetoresistive devices.