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

^*Corresponding author for this work

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

4 Scopus citations

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
State	Published - 2013
Externally published	Yes

Keywords

Double perovskite
Electronic and magnetic properties
Extended superexchange
First-principles

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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.",

keywords = "Double perovskite, Electronic and magnetic properties, Extended superexchange, First-principles",

author = "Hongping Li and Xiaojuan Liu and Changsheng Li and Shuhui Lv and Yijia Bai and Zhongchang Wang and Jian Meng",

year = "2013",

doi = "10.1016/j.solidstatesciences.2012.11.016",

language = "英语",

volume = "17",

pages = "63--66",

journal = "Solid State Sciences",

issn = "1293-2558",

publisher = "Elsevier Masson s.r.l.",

}

TY - JOUR

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

N2 - 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.

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

UR - https://www.scopus.com/pages/publications/84872704611

U2 - 10.1016/j.solidstatesciences.2012.11.016

DO - 10.1016/j.solidstatesciences.2012.11.016

M3 - 文章

AN - SCOPUS:84872704611

SN - 1293-2558

VL - 17

SP - 63

EP - 66

JO - Solid State Sciences

JF - Solid State Sciences

ER -

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

Abstract

Keywords

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