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

Journal Article · Tue Oct 28 00:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4899484· OSTI ID:22308155

Lin, S. X.; Fang, X. G.; Zhang, A. H.; Lu, X. B.; Gao, J. W.; Gao, X. S.

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}.

• OSTI ID: 22308155
• Journal Information: Journal of Applied Physics, Vol. 116, Issue 16; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

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