http://www.cnr.it/ontology/cnr/individuo/prodotto/ID280639
Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3 (Articolo in rivista)
- Type
- Label
- Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3 (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1103/PhysRevB.87.014403 (literal)
- Alternative label
Iu?an, D.ab , Yamauchi, K.ac, Barone, P.a, Sanyal, B.b, Eriksson, O.b, Profeta, G.a, Picozzi, S.a (2013)
Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3
in Physical review. B, Condensed matter and materials physics
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Iu?an, D.ab , Yamauchi, K.ac, Barone, P.a, Sanyal, B.b, Eriksson, O.b, Profeta, G.a, Picozzi, S.a (literal)
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- http://www.scopus.com/inward/record.url?eid=2-s2.0-84872251939&partnerID=q2rCbXpz (literal)
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- a Consiglio Nazionale Delle Ricerche - Superconducting and Innovative Materials and Devices (CNR-SPIN), 67100 L'Aquila, Italy
b Department of Physics and Astronomy, Uppsala University, Box 516, 75120 Uppsala, Sweden
c Institute of Scientific and Industrial Research (ISIR-SANKEN), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan (literal)
- Titolo
- Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3 (literal)
- Abstract
- We explore how the ferroelectric polarization of antiferromagnetic E-type orthorhombic HoMnO3 can be increased, by investigating the effects of in-plane strain on both the magnetic properties and the ferroelectric polarization, using combined density functional theory calculations and a model Hamiltonian technique. Our results show that the net polarization is strongly enhanced under compressive strain, due to an increase of the elec-tronic contribution to the polarization. In contrast, the ionic contribution is found to decrease. We identify the electron-lattice coupling, due to Jahn-Teller (JT) distortions, and its response to strain, to be responsible for the observed behavior. The JT-induced orbital ordering of occupied Mn-eg1 electrons in alternating 3x2-r23y2-r2 orbital states in the unstrained structure, changes under in-plane compressive strain to a mixture with x2-z2y2-z2 states. The asymmetric hopping of eg electrons between Mn ions along zigzag spin chains (typical of the AFM-E spin configuration) is therefore enhanced under strain, explaining the large value of the polarization. Using a degenerate double-exchange model including electron-phonon interaction, we reproduce the change in the orbital ordering pattern. In this picture, the orbital ordering change is related to a change of the Berry phase of the eg electrons. This causes an increase of the electronic contribution to the polarization. © 2013 American Physical Society. (literal)
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