Spin‐polarized electron gas in Co 2  M  Si/SrTiO 3  ( M  = Ti, V, Cr, Mn, and Fe) heterostructures | Zendy

Nazir S. | Zendy; Schwingenschlögl U. | Zendy

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Spin‐polarized electron gas in Co 2 M Si/SrTiO 3 ( M = Ti, V, Cr, Mn, and Fe) heterostructures

Author(s) -

Nazir S.,

Schwingenschlögl U.

Publication year - 2016

Publication title -

physica status solidi (rrl) – rapid research letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.786

H-Index - 68

eISSN - 1862-6270

pISSN - 1862-6254

DOI - 10.1002/pssr.201600086

Subject(s) - heterojunction , condensed matter physics , atomic orbital , materials science , density functional theory , electron , fermi gas , chemistry , physics , computational chemistry , quantum mechanics

Spin‐polarized density functional theory is used to study the TiO 2 terminated interfaces between the magnetic Heusler alloys Co 2 Si ( M = Ti, V, Cr, Mn, and Fe) and the non‐polar band insulator SrTiO 3 . The structural relaxation at the interface turns out to depend systematically on the lattice mis‐ match. Charge transfer from the Heusler alloys (mainly the M 3d orbitals) to the Ti d xy orbitals of the TiO 2 interface layer is found to gradually grow from M = Ti to Fe, resulting in an electron gas with increasing density of spin‐polarized charge carriers. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)

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