Possible origin of ferromagnetism in antiferromagnetic orthorhombic-YFeO3: A first-principles study

M. Kamal Warshi; Vikash Mishra; Vinayak Mishra; Rajesh Kumar; P. R. Sagdeo

doi:10.1016/j.ceramint.2018.04.181

Possible origin of ferromagnetism in antiferromagnetic orthorhombic-YFeO₃: A first-principles study

M. Kamal Warshi
, Vikash Mishra
, Vinayak Mishra
, Rajesh Kumar
, P. R. Sagdeo^*

^*Corresponding author for this work

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

18 Citations (Scopus)

Abstract

Rare-earth orthoferrites (RFeO₃) are well-known for the antiferromagnetic ground state. However, some of the recent experimental results suggest that the few members of RFeO₃ family possess ferromagnetism. In the present investigation we report the possible origin of ferromagnetism in antiferromagnetic YFeO₃ using density functional theory. For this purpose, we have considered pure as well as self-doping in YFeO₃ i.e. by considering the point defect at Y, Fe and O sites. Our finding suggests that the point defects in YFeO₃ results in the mixed-valence state of Fe, which may result in ferromagnetism through Zener double exchange mechanism.

Original language	English
Pages (from-to)	13507-13512
Number of pages	6
Journal	Ceramics International
Volume	44
Issue number	12
DOIs	https://doi.org/10.1016/j.ceramint.2018.04.181
Publication status	Published - 15-08-2018

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Process Chemistry and Technology
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/j.ceramint.2018.04.181

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title = "Possible origin of ferromagnetism in antiferromagnetic orthorhombic-YFeO3: A first-principles study",

abstract = "Rare-earth orthoferrites (RFeO3) are well-known for the antiferromagnetic ground state. However, some of the recent experimental results suggest that the few members of RFeO3 family possess ferromagnetism. In the present investigation we report the possible origin of ferromagnetism in antiferromagnetic YFeO3 using density functional theory. For this purpose, we have considered pure as well as self-doping in YFeO3 i.e. by considering the point defect at Y, Fe and O sites. Our finding suggests that the point defects in YFeO3 results in the mixed-valence state of Fe, which may result in ferromagnetism through Zener double exchange mechanism.",

author = "Warshi, \{M. Kamal\} and Vikash Mishra and Vinayak Mishra and Rajesh Kumar and Sagdeo, \{P. R.\}",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier Ltd and Techna Group S.r.l.",

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doi = "10.1016/j.ceramint.2018.04.181",

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TY - JOUR

T1 - Possible origin of ferromagnetism in antiferromagnetic orthorhombic-YFeO3

T2 - A first-principles study

AU - Warshi, M. Kamal

AU - Mishra, Vikash

AU - Mishra, Vinayak

AU - Kumar, Rajesh

AU - Sagdeo, P. R.

PY - 2018/8/15

Y1 - 2018/8/15

N2 - Rare-earth orthoferrites (RFeO3) are well-known for the antiferromagnetic ground state. However, some of the recent experimental results suggest that the few members of RFeO3 family possess ferromagnetism. In the present investigation we report the possible origin of ferromagnetism in antiferromagnetic YFeO3 using density functional theory. For this purpose, we have considered pure as well as self-doping in YFeO3 i.e. by considering the point defect at Y, Fe and O sites. Our finding suggests that the point defects in YFeO3 results in the mixed-valence state of Fe, which may result in ferromagnetism through Zener double exchange mechanism.

AB - Rare-earth orthoferrites (RFeO3) are well-known for the antiferromagnetic ground state. However, some of the recent experimental results suggest that the few members of RFeO3 family possess ferromagnetism. In the present investigation we report the possible origin of ferromagnetism in antiferromagnetic YFeO3 using density functional theory. For this purpose, we have considered pure as well as self-doping in YFeO3 i.e. by considering the point defect at Y, Fe and O sites. Our finding suggests that the point defects in YFeO3 results in the mixed-valence state of Fe, which may result in ferromagnetism through Zener double exchange mechanism.

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U2 - 10.1016/j.ceramint.2018.04.181

DO - 10.1016/j.ceramint.2018.04.181

M3 - Article

AN - SCOPUS:85046161001

SN - 0272-8842

VL - 44

SP - 13507

EP - 13512

JO - Ceramics International

JF - Ceramics International

IS - 12

ER -

Possible origin of ferromagnetism in antiferromagnetic orthorhombic-YFeO₃: A first-principles study

Abstract

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