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Title: Uniaxial strain-induced magnetic order transition from E-type to A-type in orthorhombic YMnO{sub 3} from first-principles

The spin ordering magnetic structures of orthorhombic YMnO{sub 3} subjected to uniaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive uniaxial strain of −0.8% along the b orientation, the spin ordering magnetic structure is predicted to change from E-type to A-type antiferromagnetic orderings. The structure analysis also reveals that the uniaxial strain has a dramatic influence on the Mn-O bond lengths and Mn-O-Mn bond angles, allowing the gradual suppression of the alternation of the long and short Mn-O-Mn bonds in the ab plane. These changes present very interesting possibilities for engineering the spin ordering along with ferroelectric property in orthorhombic YMnO{sub 3}.
Authors:
; ; ; ; ; ;  [1] ;  [1] ;  [2]
  1. Institute for Advanced Materials and Laboratory of Quantum Engineering and Quantum Materials, South China Normal University, Guangzhou (China)
  2. (China)
Publication Date:
OSTI Identifier:
22308155
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 16; Other Information: (c) 2014 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; ANTIFERROMAGNETISM; BOND ANGLE; BOND LENGTHS; CHEMICAL BONDS; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; FERROELECTRIC MATERIALS; MAGNETIC PROPERTIES; MANGANATES; ORTHORHOMBIC LATTICES; SPIN; STRAINS; YTTRIUM COMPOUNDS