We report ab initio predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO3 doped with vanadium (V). Ferromagnetically coupled V impurities carry a magnetization of 1 μB each. The coupling is expected to be strong, since the paramagnetic solution is higher by 150 meV/vanadium, and no stable antiferromagnetic solution was found. The electronic gap in the doped system is about 0.2-0.3 eV in the generalized gradient approximation (GGA), hence the system is properly multiferroic. V doping increases the spontaneous polarization in PbTiO3, with an approximate percentual rate of 0.7 μC/cm 2.

Multiferroicity in V-doped PbTiO3

RICCI, FRANCESCO;FIORENTINI, VINCENZO
2013-01-01

Abstract

We report ab initio predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO3 doped with vanadium (V). Ferromagnetically coupled V impurities carry a magnetization of 1 μB each. The coupling is expected to be strong, since the paramagnetic solution is higher by 150 meV/vanadium, and no stable antiferromagnetic solution was found. The electronic gap in the doped system is about 0.2-0.3 eV in the generalized gradient approximation (GGA), hence the system is properly multiferroic. V doping increases the spontaneous polarization in PbTiO3, with an approximate percentual rate of 0.7 μC/cm 2.
File in questo prodotto:
File Dimensione Formato  
ptov.pdf

accesso aperto

Tipologia: versione editoriale
Dimensione 190.34 kB
Formato Adobe PDF
190.34 kB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/95919
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? 7
social impact