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First principles study of the multiferroics BiFeO, BiFeCrO, and BiCrO: Structure, polarization, and magnetic ordering temperature
Pio Baettig, Claude Ederer, Nicola A. Spaldin
We present results of an {\it ab initio} density functional theory study of three bismuth-based multiferroics, BiFeO, BiFeCrO, and BiCrO. We disuss differen…
Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics
Claude Ederer, Nicola A. Spaldin
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO, PbTiO, LiNbO, and BiFeO using first principles calculati…
Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite
Claude Ederer, Nicola A. Spaldin
The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, ar…
First-principles study of spontaneous polarization in multiferroic BiFeO
J. B. Neaton, C. Ederer, U. V. Waghmare +2
The ground-state structural and electronic properties of ferroelectric BiFeO are calculated using density functional theory within the local spin-density approximation and the…
Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
Claude Ederer, Nicola A. Spaldin
We analyze the coupling between the ferroelectric and magnetic order parameters in the magnetoelectric multiferroic BiFeO_3 using density functional theory within the local spin de…