Multiferroicity in vanadium-doped La2Ti2O7: insights from first principles (Articolo in rivista)

Type

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

Label

• Multiferroicity in vanadium-doped La2Ti2O7: insights from first principles (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

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

• 10.1140/epjb/e2013-30672-8 (literal)

Alternative label

• Scarrozza, Marco; Filippetti, Alessio; Fiorentini, Vincenzo (2013)
  Multiferroicity in vanadium-doped La2Ti2O7: insights from first principles
  in The European physical journal. B, Condensed matter physics (Print)
  (literal)

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

• Scarrozza, Marco; Filippetti, Alessio; Fiorentini, Vincenzo (literal)

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

• 86 (literal)

Rivista

• ?The ?European physical journal. B, Condensed matter physics (Rivista)

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

• 8 (literal)

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

• 4 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• University of Cagliari; University of Cagliari (literal)

Titolo

• Multiferroicity in vanadium-doped La2Ti2O7: insights from first principles (literal)

Abstract

• We explore an unconventional route in the search for multiferroicity investigating the magnetic doping of La2Ti2O7 (LTO), a ferroelectric layered perovskite, by density functional calculations. We find that substitution of Ti (in the 3d(0) configuration) by V (3d(1)) produces: (i) robust ferromagnetic (FM) order, achieving multiferroicity; (ii) structural and magnetic anisotropy, as the dopants cluster in magnetic chains. Moreover, the FM V-chains possess antiferro orbital ordering. We show that the origin of the strong FM coupling lies in the fruitful host-dopant combination: the layered structure of the host prewires the orbitals t(2g) with d(xy) and d(xz) lower in energy, the V dopants provide the full occupancy of the bonding levels. We further address the stability of chains vs. temperature and the role of oxygen vacancies in undoped as well as Sc-doped and V-doped LTO. (literal)

Prodotto di

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

Autore CNR

• ALESSIO FILIPPETTI (Persona)
• VINCENZO FIORENTINI (Persona)

Incoming links:

Autore CNR di

• VINCENZO FIORENTINI (Persona)
• ALESSIO FILIPPETTI (Persona)

Prodotto

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

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

• ?The ?European physical journal. B, Condensed matter physics (Rivista)