Magnetic coupling mechanism in A-site ordered perovskite YMn 3Al4O12: Extended (Mn-O)-(O-Mn) superexchange

Hongping Li; Xiaojuan Liu; Changsheng Li; Shuhui Lv; Yijia Bai; Zhongchang Wang; Jian Meng

doi:10.1016/j.solidstatesciences.2012.11.016

Magnetic coupling mechanism in A-site ordered perovskite YMn ₃Al₄O₁₂: Extended (Mn-O)-(O-Mn) superexchange

Hongping Li, Xiaojuan Liu, Changsheng Li, Shuhui Lv, Yijia Bai, Zhongchang Wang, Jian Meng

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

1 Citation (Scopus)

Abstract

A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn₃Al₄O ₁₂, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn₃Al₄O₁₂, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.

Original language	English
Pages (from-to)	63-66
Number of pages	4
Journal	Solid State Sciences
Volume	17
DOIs	https://doi.org/10.1016/j.solidstatesciences.2012.11.016
Publication status	Published - 2013

Keywords

Double perovskite
Electronic and magnetic properties
Extended superexchange
First-principles

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

Access to Document

10.1016/j.solidstatesciences.2012.11.016

Cite this

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title = "Magnetic coupling mechanism in A-site ordered perovskite YMn 3Al4O12: Extended (Mn-O)-(O-Mn) superexchange",

abstract = "A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn3Al4O 12, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn3Al4O12, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.",

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T1 - Magnetic coupling mechanism in A-site ordered perovskite YMn 3Al4O12

T2 - Extended (Mn-O)-(O-Mn) superexchange

AU - Li, Hongping

AU - Liu, Xiaojuan

AU - Li, Changsheng

AU - Lv, Shuhui

AU - Bai, Yijia

AU - Wang, Zhongchang

AU - Meng, Jian

PY - 2013

Y1 - 2013

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AB - A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn3Al4O 12, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn3Al4O12, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.

KW - Double perovskite

KW - Electronic and magnetic properties

KW - Extended superexchange

KW - First-principles

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