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Title: The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}

Abstract

It has been found experimentally that the ferroelectricity in Y{sub 2}CoMnO{sub 6} is driven by a magnetic ordering of collinear up-up-down-down (↑↑↓↓). Here, the origin of the magnetism and thereby ferroelectricity is studied using first-principles calculations. We first confirm that the experimentally observed ↑↑↓↓ antiferromagnetic structure is the ground state of Y{sub 2}CoMnO{sub 6}. Additionally, both the Co{sup 2+} and Mn{sup 4+} are in the high-spin state. By analyzing the exchange coupling and corresponding pathways, we conclude that the ↑↑↓↓ spin order in Y{sub 2}CoMnO{sub 6} originates from a subtle competition between the ferromagnetic Co-O-Mn super-exchange and antiferromagnetic Co-Mn direct-exchange along c axis.

Authors:
 [1];  [1];  [2];  [3];  [4]
  1. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)
  2. (China)
  3. Hefei National Laboratory for Physical Sciences at Microscale, Department of Physics, University of Science and Technology of China, Hefei 230026 (China)
  4. Beijing Computational Science Research Center, Beijing 100084 (China)
Publication Date:
OSTI Identifier:
22410134
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROELECTRIC MATERIALS; ANTIFERROMAGNETISM; COBALT COMPOUNDS; COBALT IONS; COUPLING; FERROELECTRIC MATERIALS; FERROMAGNETIC MATERIALS; FERROMAGNETISM; GROUND STATES; HIGH SPIN STATES; MAGNETIZATION; MANGANATES; MANGANESE IONS; YTTRIUM COMPOUNDS

Citation Formats

Jia, Ting, Zeng, Zhi, E-mail: zzeng@theory.issp.ac.cn, Department of Physics, University of Science and Technology of China, Hefei 230026, Li, X. G., and Lin, H. Q. The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}. United States: N. p., 2015. Web. doi:10.1063/1.4915095.
Jia, Ting, Zeng, Zhi, E-mail: zzeng@theory.issp.ac.cn, Department of Physics, University of Science and Technology of China, Hefei 230026, Li, X. G., & Lin, H. Q. The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}. United States. doi:10.1063/1.4915095.
Jia, Ting, Zeng, Zhi, E-mail: zzeng@theory.issp.ac.cn, Department of Physics, University of Science and Technology of China, Hefei 230026, Li, X. G., and Lin, H. Q. Thu . "The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}". United States. doi:10.1063/1.4915095.
@article{osti_22410134,
title = {The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}},
author = {Jia, Ting and Zeng, Zhi, E-mail: zzeng@theory.issp.ac.cn and Department of Physics, University of Science and Technology of China, Hefei 230026 and Li, X. G. and Lin, H. Q.},
abstractNote = {It has been found experimentally that the ferroelectricity in Y{sub 2}CoMnO{sub 6} is driven by a magnetic ordering of collinear up-up-down-down (↑↑↓↓). Here, the origin of the magnetism and thereby ferroelectricity is studied using first-principles calculations. We first confirm that the experimentally observed ↑↑↓↓ antiferromagnetic structure is the ground state of Y{sub 2}CoMnO{sub 6}. Additionally, both the Co{sup 2+} and Mn{sup 4+} are in the high-spin state. By analyzing the exchange coupling and corresponding pathways, we conclude that the ↑↑↓↓ spin order in Y{sub 2}CoMnO{sub 6} originates from a subtle competition between the ferromagnetic Co-O-Mn super-exchange and antiferromagnetic Co-Mn direct-exchange along c axis.},
doi = {10.1063/1.4915095},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 17,
volume = 117,
place = {United States},
year = {2015},
month = {5}
}