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Title: First-principles approach to investigate toroidal property of magnetoelectric multiferroic GaFeO{sub 3}

A first-principles approach incorporating the concept of toroidal moments as a measure of the spin vortex is proposed and applied to simulate the toroidization of magnetoelectric multiferroic GaFeO{sub 3}. The nature of space-inversion and time-reversal violations of ferrotoroidics is reproduced in the simulated magnetic structure of GaFeO{sub 3}. For undoped GaFeO{sub 3}, a toroidal moment of −22.38 μ{sub B} Å per unit cell was obtained, which is the best theoretical estimate till date. Guided by the spin vortex free-energy minimization perturbed by an externally applied field, it was discovered that the minority spin markedly biases the whole toroidization. In summary, this approach not only calculates the toroidal moment but provides a way to understand the toroidal nature of magnetoelectric multiferroics.
Authors:
 [1]
  1. Department of Applied Materials and Optoelectronic Engineering, National Chi Nan University (NCNU), Nantou County 54561, Taiwan (China)
Publication Date:
OSTI Identifier:
22494889
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 119; Journal Issue: 2; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ELECTRICAL PROPERTIES; FREE ENERGY; MAGNETIC PROPERTIES; MINIMIZATION; SIMULATION; SPACE; SPIN; VORTICES