Ferroelectrically induced weak-ferromagnetism in a single-phase multiferroic by design

We present a strategy to design structures for which a polar lattice distortion induces weak ferromagnetism. We identify a large class of multiferroic oxides as potential realizations and use density-functional theory to screen several promising candidates. By elucidating the interplay between the polarization and the Dzyaloshinskii-Moriya vector, we show how the direction of the magnetization can be switched between 180$^{\circ}$ symmetry equivalent states with an applied electric field.Comment: Significantly revised for clarit

Spin-Filtering Multiferroic-Semiconductor Heterojunctions

We report on the structural and electronic properties of the interface between the multiferoic oxide YMnO$_3$ and wide band-gap semiconductor GaN studied with the Hubbard-corrected local spin density approximation (LSDA+U) to density-functional theory (DFT). We find that the band offsets at the interface between antiferromagnetically ordered YMnO$_3$ and GaN are different for spin-up and spin-down states. This behavior is due to the spin splitting of the valence band induced by the interface. The energy barrier depends on the relative orientation of the electric polarization with respect to the polarization direction of the GaN substrate suggesting an opportunity to create magnetic tunnel junctions in this materials system.Comment: 4 pages, 4 figure

Magnetic-induced phonon anisotropy in ZnCr2_2O4_4 from first principles

We have studied the influence of magnetic order on the optical phonons of the geometrically frustrated spinel ZnCr$_2$O$_4$ from first-principles. By mapping the first-principles phonon calculations onto a Heisenberg-like model, we developed a method to calculate exchange derivatives and subsequently the spin-phonon couping parameter from first-principles. All calculations were performed within LSDA+U

Magnetic and electric phase control in epitaxial EuTiO3_3 from first principles

We propose a design strategy - based on the coupling of spins, optical phonons, and strain - for systems in which magnetic (electric) phase control can be achieved by an applied electric (magnetic) field. Using first-principles density-functional theory calculations, we present a realization of this strategy for the magnetic perovskite EuTiO$_3$.Comment: Significantly revised for clarit