First-principles investigation of the interface magnetic anisotropy of Fe/SrTiO                         3

Yue Wei; Yu Yun Sun; Jing Yang; Shi Jing Gong; Yu Hua Meng; Chun Gang Duan

doi:10.1088/1361-648X/aaf52e

First-principles investigation of the interface magnetic anisotropy of Fe/SrTiO ₃

Yue Wei, Yu Yun Sun, Jing Yang, Shi Jing Gong, Yu Hua Meng, Chun Gang Duan

School of Physics and Electronic Science

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

7 Scopus citations

Abstract

Interface effects in magnetic nanostructures play a critical role in the magnetic properties. By using first-principles density functional theory calculations, we investigate the electronic and magnetic properties of Fe/SrTiO ₃ interfaces, in which both the nonpolar surface SrTiO ₃ (0 0 1) and the polar surface SrTiO ₃ (1 1 0) are considered. A particular emphasis is placed on the magnetic anisotropy energy (MAE). Comparing MAE of the Fe/SrTiO ₃ interfaces and the corresponding Fe monolayers, we find the Fe/SrTiO ₃ (0 0 1) interface decreases MAE, while the Fe/SrTiO ₃ (1 1 0) interface increases MAE. The interface orbital hybridization and orbital magnetic moments are analyzed in detail to understand the different interface magnetic anisotropy. Our investigation indicates that interface engineering can be an effective way to modulate the magnetic properties.

Original language	English
Article number	075803
Journal	Journal of Physics Condensed Matter
Volume	31
Issue number	7
DOIs	https://doi.org/10.1088/1361-648X/aaf52e
State	Published - 20 Feb 2019

Keywords

interface effects
magnetic anisotropy energy
spin orbit coupling

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10.1088/1361-648X/aaf52e

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title = " First-principles investigation of the interface magnetic anisotropy of Fe/SrTiO 3 ",

abstract = " Interface effects in magnetic nanostructures play a critical role in the magnetic properties. By using first-principles density functional theory calculations, we investigate the electronic and magnetic properties of Fe/SrTiO 3 interfaces, in which both the nonpolar surface SrTiO 3 (0 0 1) and the polar surface SrTiO 3 (1 1 0) are considered. A particular emphasis is placed on the magnetic anisotropy energy (MAE). Comparing MAE of the Fe/SrTiO 3 interfaces and the corresponding Fe monolayers, we find the Fe/SrTiO 3 (0 0 1) interface decreases MAE, while the Fe/SrTiO 3 (1 1 0) interface increases MAE. The interface orbital hybridization and orbital magnetic moments are analyzed in detail to understand the different interface magnetic anisotropy. Our investigation indicates that interface engineering can be an effective way to modulate the magnetic properties.",

keywords = "interface effects, magnetic anisotropy energy, spin orbit coupling",

author = "Yue Wei and Sun, \{Yu Yun\} and Jing Yang and Gong, \{Shi Jing\} and Meng, \{Yu Hua\} and Duan, \{Chun Gang\}",

note = "Publisher Copyright: {\textcopyright} 2019 IOP Publishing Ltd.",

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doi = "10.1088/1361-648X/aaf52e",

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T1 - First-principles investigation of the interface magnetic anisotropy of Fe/SrTiO 3

AU - Wei, Yue

AU - Sun, Yu Yun

AU - Yang, Jing

AU - Gong, Shi Jing

AU - Meng, Yu Hua

AU - Duan, Chun Gang

PY - 2019/2/20

Y1 - 2019/2/20

N2 - Interface effects in magnetic nanostructures play a critical role in the magnetic properties. By using first-principles density functional theory calculations, we investigate the electronic and magnetic properties of Fe/SrTiO 3 interfaces, in which both the nonpolar surface SrTiO 3 (0 0 1) and the polar surface SrTiO 3 (1 1 0) are considered. A particular emphasis is placed on the magnetic anisotropy energy (MAE). Comparing MAE of the Fe/SrTiO 3 interfaces and the corresponding Fe monolayers, we find the Fe/SrTiO 3 (0 0 1) interface decreases MAE, while the Fe/SrTiO 3 (1 1 0) interface increases MAE. The interface orbital hybridization and orbital magnetic moments are analyzed in detail to understand the different interface magnetic anisotropy. Our investigation indicates that interface engineering can be an effective way to modulate the magnetic properties.

AB - Interface effects in magnetic nanostructures play a critical role in the magnetic properties. By using first-principles density functional theory calculations, we investigate the electronic and magnetic properties of Fe/SrTiO 3 interfaces, in which both the nonpolar surface SrTiO 3 (0 0 1) and the polar surface SrTiO 3 (1 1 0) are considered. A particular emphasis is placed on the magnetic anisotropy energy (MAE). Comparing MAE of the Fe/SrTiO 3 interfaces and the corresponding Fe monolayers, we find the Fe/SrTiO 3 (0 0 1) interface decreases MAE, while the Fe/SrTiO 3 (1 1 0) interface increases MAE. The interface orbital hybridization and orbital magnetic moments are analyzed in detail to understand the different interface magnetic anisotropy. Our investigation indicates that interface engineering can be an effective way to modulate the magnetic properties.

KW - interface effects

KW - magnetic anisotropy energy

KW - spin orbit coupling

UR - https://www.scopus.com/pages/publications/85059795348

U2 - 10.1088/1361-648X/aaf52e

DO - 10.1088/1361-648X/aaf52e

M3 - 文章

C2 - 30523803

AN - SCOPUS:85059795348

SN - 0953-8984

VL - 31

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 7

M1 - 075803

ER -

First-principles investigation of the interface magnetic anisotropy of Fe/SrTiO ₃

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