Professor Paolo G. Radaelli OSI

Abstract:

We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on plane waves and pseudopotentials. We compute the dynamic spin susceptibility self-consistently by solving the time-dependent Sternheimer equation, within the adiabatic local density approximation to the exchange and correlation kernel. We demonstrate our implementation by calculating the spin susceptibility of representative elemental transition metals, namely bcc Fe, fcc Ni, and bcc Cr. The calculated magnon dispersion relations of Fe and Ni are in agreement with previous work. The calculated spin susceptibility of Cr exhibits a soft-paramagnon instability, indicating the tendency of the Cr spins to condense in an incommensurate spin density wave phase, in agreement with experiment.

Abstract:

Exploiting multiferroic BiFeO3 thin films in spintronic devices requires deterministic and robust control of both internal magnetoelectric coupling in BiFeO3, as well as exchange coupling of its antiferromagnetic order to a ferromagnetic overlayer. Previous reports utilized approaches based on multi-step ferroelectric switching with multiple ferroelectric domains. Because domain walls can be responsible for fatigue, contain localized charges intrinsically or via defects, and present problems for device reproducibility and scaling, an alternative approach using a monodomain magnetoelectric state with single-step switching is desirable. Here we demonstrate room temperature, deterministic and robust, exchange coupling between monodomain BiFeO3 films and Co overlayer that is intrinsic (i.e., not dependent on domain walls). Direct coupling between BiFeO3 antiferromagnetic order and Co magnetization is observed, with ~ 90° in-plane Co moment rotation upon single-step switching that is reproducible for hundreds of cycles. This has important consequences for practical, low power non-volatile magnetoelectric devices utilizing BiFeO3.

Abstract:

Through analysis of variable temperature neutron powder diffraction data, we present solutions for the magnetic structures of SrMn₇O₁₂, CdMn₇O₁₂, and PbMn₇O₁₂ in all long-range ordered phases. The three compounds were found to have magnetic structures analogous to that reported for CaMn₇O₁₂. They all feature a higher temperature lock-in phase with commensurate magneto-orbital coupling, and a delocked, multi-k magnetic ground state where incommensurate magneto-orbital coupling gives rise to a constant-moment magnetic helix with modulated spin helicity. CdMn₇O₁₂ represents a special case in which the orbital modulation is commensurate with the crystal lattice and involves stacking of fully and partially polarized orbital states. Our results provide a robust confirmation of the phenomenological model for magneto-orbital coupling previously presented for CaMn₇O₁₂. Furthermore, we show that the model is universal to the A quadruple perovskite manganites synthesised to date, and that it is tunable by selection of the A-site ionic radius.