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

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
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
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