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 journalArticlepeer-review

8 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 languageEnglish (US)
Pages (from-to)67009
JournalEPL (Europhysics Letters)
Volume102
Issue number6
DOIs
StatePublished - Jul 10 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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