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Journal of Materials Science
Erschienen in: Journal of Materials Science 5/2021

06.11.2020 | Computation & theory

Electric field control of magnetism at the γ-FeSi2/Si(001) interface

verfasst von: Liwei D. Geng, Ranjit Pati, Yongmei M. Jin

Erschienen in: Journal of Materials Science | Ausgabe 5/2021

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abstract

Interfaces often exhibit unique electronic and magnetic properties that are not present in their bulk constituents. Understanding the atomic-level structure and properties of the interface is crucial for their technological applications. In this article, we report a first-principles study of the γ-FeSi2/Si(001) interface to unravel the atomic-level structure property relationship. An external electric field is included in our model to tune the properties of the interface. Based on our calculations, we found a modest application of an electric field (> 0.15 eV/Å) could stabilize a sixfold and sevenfold coordinated, spin-active interface over a nonmagnetic (eightfold coordinated) interface-providing direct evidence of electric field control of magnetism at the interface. The sixfold as well as sevenfold coordinated structures are shown to favor antiferromagnetic spin ordering arising from the Fe(d)-Si(p)-Fe(d) super-exchange interaction. The distinct non-linear response of the interface structure to the applied electric field can be attributed to the different electronic and magnetic structures at the interface; the sixfold exhibits the highest polarizability over the other coordinated structures.

Graphical abstract

Vorheriger Artikel First-principles investigation of methanol synthesis from CO2 hydrogenation on Cu@Pd core–shell surface
Nächster Artikel Ultra-incompressibility and high energy density of ReN8 with infinite nitrogen chains

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Metadaten
Titel
Electric field control of magnetism at the γ-FeSi2/Si(001) interface
verfasst von
Liwei D. Geng
Ranjit Pati
Yongmei M. Jin
Publikationsdatum
06.11.2020
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 5/2021
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-020-05500-x

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