Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2 and MgFeO2 (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2 and MgFeO2 (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.7566/JPSJ.83.094712 (literal)

Alternative label

• Yamauchi, Kunihiko; Oguchi, Tamio; Picozzi, Silvia (2014)
  Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2 and MgFeO2
  in Journal of the Physical Society of Japan
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Yamauchi, Kunihiko; Oguchi, Tamio; Picozzi, Silvia (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 83 (literal)

Rivista

• Journal of the Physical Society of Japan (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 6 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 9 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Osaka University; Japan Science & Technology Agency (JST); Consiglio Nazionale delle Ricerche (CNR) (literal)

Titolo

• Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2 and MgFeO2 (literal)

Abstract

• Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing magnetically-controlled large electric polarization, possibly even above room temperature. The cross coupling between magnetic and dipolar degrees of freedom needs, as main ingredients, Fe-site spin-orbit coupling and a spin-dependent O p-Fe d hybridization, along with structural constraints related to the non-centrosymmetric point group and the peculiar geometry characterized by \"flattened\" FeO4 tetrahedrons. In order to enhance magnetoelectric effects, we performed a materials-design leading to a novel and optimized system, MgFeO2, where the larger O-4 tetrahedral distortion leads to a stronger polarization. (literal)

Prodotto di

• Proprietà strutturali, elettroniche e vibrazionali di sistemi a forte correlazione elettronica (MD.P04.025.003) (Modulo)

Autore CNR

• SILVIA PICOZZI (Unità di personale interno)

Incoming links:

Autore CNR di

• SILVIA PICOZZI (Unità di personale interno)

Prodotto

• Proprietà strutturali, elettroniche e vibrazionali di sistemi a forte correlazione elettronica (MD.P04.025.003) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Journal of the Physical Society of Japan (Rivista)