Half-metallicity in a $BiFeO_3/La_{\frac{2}{3}}Sr_{\frac{1}{3}}MnO_3$ superlattice: A first-principles study

Jilili Jiwuer; Ulrich Eckern; Udo Schwingenschlögl

doi:10.1209/0295-5075/102/67009

Half-metallicity in a $BiFeO_3/La_{\frac{2}{3}}Sr_{\frac{1}{3}}MnO_3$ superlattice: A first-principles study

Jilili Jiwuer, Ulrich Eckern, Udo Schwingenschlögl

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.

Original language	English (US)
Pages (from-to)	67009
Journal	EPL (Europhysics Letters)
Volume	102
Issue number	6
DOIs	https://doi.org/10.1209/0295-5075/102/67009
State	Published - Jul 10 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Financial support by the Deutsche Forschungsgemeinschaft (TRR 80) is gratefully acknowledged.

ASJC Scopus subject areas

General Physics and Astronomy

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10.1209/0295-5075/102/67009

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title = "Half-metallicity in a $BiFeO_3/La_{\frac{2}{3}}Sr_{\frac{1}{3}}MnO_3$ superlattice: A first-principles study",

abstract = "We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. {\textcopyright} EPLA, 2013.",

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T1 - Half-metallicity in a $BiFeO_3/La_{\frac{2}{3}}Sr_{\frac{1}{3}}MnO_3$ superlattice: A first-principles study

AU - Jiwuer, Jilili

AU - Eckern, Ulrich

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Financial support by the Deutsche Forschungsgemeinschaft (TRR 80) is gratefully acknowledged.

PY - 2013/7/10

Y1 - 2013/7/10

N2 - We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.

AB - We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.

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Half-metallicity in a $BiFeO_3/La_{\frac{2}{3}}Sr_{\frac{1}{3}}MnO_3$ superlattice: A first-principles study

Abstract

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