Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures

Nazir, S.; Schwingenschlögl, Udo

Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures

Type

Article

Authors

Nazir, S.
Schwingenschlögl, Udo

KAUST Department

Computational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division

Online Publication Date

2016-06-08

Print Publication Date

2016-07

Date

2016-06-08

Abstract

Spin-polarized density functional theory is used to study the TiO2 terminated interfaces between the magnetic Heusler alloys Co2Si (M = Ti, V, Cr, Mn, and Fe) and the non-polar band insulator SrTiO3. 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 dxy orbitals of the TiO2 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). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Citation

Nazir S, Schwingenschlögl U (2016) Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures. physica status solidi (RRL) - Rapid Research Letters 10: 540–543. Available: http://dx.doi.org/10.1002/pssr.201600086.

Acknowledgements

The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).