Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite

We analyze the coupling between the ferroelectric and magnetic order parameters in the magnetoelectric multiferroic $\mathrm{Bi}\mathrm{Fe}{\mathrm{O}}_{3}$ using density functional theory within the local spin density approximation (LSDA) and the $\mathrm{LSDA}+\mathrm{U}$ method. We show that weak ferromagnetism of the Dzyaloshinskii-Moriya type occurs in this material, and we analyze the coupling between the resulting magnetization and the structural distortions. We explore the possibility of electric-field-induced magnetization reversal and show that, although it is unlikely to be realized in $\mathrm{Bi}\mathrm{Fe}{\mathrm{O}}_{3}$, it is not in general impossible. Finally, we outline the conditions that must be fulfilled to achieve switching of the magnetization using an electric field.

[1]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[2]  J. Scott,et al.  Ferroelectrically induced ferromagnetism , 1977 .

[3]  Robert Gerson,et al.  The atomic structure of BiFeO3 , 1969 .

[4]  A. Zvezdin,et al.  LINEAR MAGNETOELECTRIC EFFECT AND PHASE-TRANSITIONS IN BISMUTH FERRITE, BIFEO3 , 1993 .

[5]  E Steichele,et al.  Spiral magnetic ordering in bismuth ferrite , 1982 .

[6]  C. Ederer,et al.  Fast ab initio methods for the calculation of adiabatic spin wave spectra in complex systems , 2001 .

[7]  R. Ramesh,et al.  Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures , 2003, Science.

[8]  H. Schmid On the possibility of ferromagnetic, antiferromagnetic, ferroelectric, and ferroelastic domain reorientations in magnetic and electric fields , 1999 .

[9]  A. Lichtenstein,et al.  First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .

[10]  E. Ascher,et al.  Some Properties of Ferromagnetoelectric Nickel‐Iodine Boracite, Ni3B7O13I , 1966 .

[11]  G. Schütz,et al.  Theory of induced magnetic moments and x-ray magnetic circular dichroism in Co-Pt multilayers , 2002 .

[12]  N. A. Hill Density Functional Studies of Multiferroic Magnetoelectrics , 2002 .

[13]  Yasuhiro Tokura,et al.  Magnetocapacitance effect in multiferroic BiMnO 3 , 2003 .

[14]  T. Moriya Anisotropic Superexchange Interaction and Weak Ferromagnetism , 1960 .

[15]  M. Fiebig,et al.  Observation of coupled magnetic and electric domains , 2002, Nature.

[16]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[17]  Y. Tokura,et al.  Magnetic control of ferroelectric polarization , 2003, Nature.

[18]  Blöchl,et al.  Improved tetrahedron method for Brillouin-zone integrations. , 1994, Physical review. B, Condensed matter.

[19]  O. K. Andersen,et al.  Linear methods in band theory , 1975 .

[20]  K. H. Andersen,et al.  Crystal structure and spiral magnetic ordering of BiFeO3 doped with manganese , 2002 .

[21]  Robert Gerson,et al.  Dielectric hysteresis in single crystal BiFeO3 , 1970 .

[22]  H. Schmid,et al.  Structure of a ferroelectric and ferroelastic monodomain crystal of the perovskite BiFeO3 , 1990 .

[23]  K. Aizu Possible Species of Ferromagnetic, Ferroelectric, and Ferroelastic Crystals , 1970 .

[24]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[25]  Kieffer Mechanical degradation and viscous dissipation in B2O3. , 1994, Physical review. B, Condensed matter.

[26]  R. O. Jones,et al.  The density functional formalism, its applications and prospects , 1989 .