http://www.cnr.it/ontology/cnr/individuo/prodotto/ID307229
Improper origin of polar displacements at CaTiO3 and CaMnO3 twin walls (Articolo in rivista)
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- Label
- Improper origin of polar displacements at CaTiO3 and CaMnO3 twin walls (Articolo in rivista) (literal)
- Anno
- 2014-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1103/PhysRevB.89.144104 (literal)
- Alternative label
Barone, Paolo; Di Sante, Domenico; Picozzi, Silvia (2014)
Improper origin of polar displacements at CaTiO3 and CaMnO3 twin walls
in Physical review. B, Condensed matter and materials physics
(literal)
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- Barone, Paolo; Di Sante, Domenico; Picozzi, Silvia (literal)
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- ISI Web of Science (WOS) (literal)
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- Consiglio Nazionale delle Ricerche (CNR); University of Aquila (literal)
- Titolo
- Improper origin of polar displacements at CaTiO3 and CaMnO3 twin walls (literal)
- Abstract
- Recent interest in novel functionalities arising at domain walls of ferroic materials naturally calls for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of polar distortions in the twin walls of nonpolar CaTiO3 and magnetic CaMnO3. We show that such polar displacements arise from rotation and/or tilting octahedral distortions-cooperatively acting at the twin wall in both considered systems-rather than from a proper secondary ferroelectric instability, as often believed. Our results are in excellent agreement with experimental observations of domain walls in CaTiO3. In addition, we show that magnetic properties at the twin wall in CaMnO3 are also modified, thus suggesting an unexplored route to achieve and detect multiferroic ordering in a single-phase material. (literal)
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