Structural stability, magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density functional theory study

Autor:	Hülsen, B., Scheffler, M., Kratzer, P.
Rok vydání:	2009
Předmět:	Condensed Matter - Materials Science Condensed Matter - Other Condensed Matter
Zdroj:	Phys. Rev. Lett. 103, 046802 (2009)
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevLett.103.046802
Popis:	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. Comment: 4 pages, 3 figs
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/0903.2228 Zobrazit plný text záznamu View this record from Arxiv