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Deterministic switching of ferromagnetism at room temperature using an electric field
The kinetics of the switching process is examined, something not considered previously in theoretical work, and a deterministic reversal of the DM vector and canted moment using an electric field at room temperature is shown.
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
Using a linear combination of atomic orbitals approach, we report a systematic comparison of various density functional theory (DFT) and hybrid exchange-correlation functionals for the prediction of
Exchange bias in LaNiO3-LaMnO3 superlattices.
It is demonstrated how interfacial interactions can induce a complex magnetic structure in a non-magnetic material and specifically show that exchange bias can unexpectedly emerge in heterostructures consisting of paramagnetic LaNiO3 (LNO) and ferromagnetic LaMnO 3 (LMO).
Negative capacitance in multidomain ferroelectric superlattices
First-principles-based atomistic simulations provide detailed microscopic insight into the origin of this phenomenon, identifying the dominant contribution of near-interface layers and paving the way for its future exploitation.
Raman spectroscopy of rare-earth orthoferrites R FeO 3 ( R =La, Sm, Eu, Gd, Tb, Dy)
We report a Raman scattering study of six rare-earth orthoferrites $R{\mathrm{FeO}}_{3}$, with $R$ = La, Sm, Eu, Gd, Tb, Dy. The use of extensive polarized Raman scattering of ${\mathrm{SmFeO}}_{3}$
Molecular and dissociative adsorption of multiple hydrogen molecules on transition metal decorated C 60
Recently we have predicted Phys. Rev. Lett. 94, 175501 2005 that Ti-decorated carbon nanotubes can adsorb up to 8-wt. % hydrogen at ambient conditions. Here we show that a similar phenomenon occurs
First-principles predictions of low-energy phases of multiferroic BiFeO 3
We used first-principles methods to perform a systematic search for potentially-stable phases of multiferroic BiFeO3. We considered a simulation cell compatible with the atomic distortions that are
Ab initiostudy of proper topological ferroelectricity in layered perovskite La2Ti2O7
We present a first-principles investigation of ferroelectricity in layered perovskite oxide La2Ti2O7 (LTO), one of the compounds with highest Curie temperature known (1770 K). Our calculations reveal
Prediction of a native ferroelectric metal
It is shown, by means of first-principles simulations, that native metallicity and ferroelectricity coexist in the layered perovskite Bi5Ti5O17, and can sustain a sizable potential drop along the polar direction, as needed to reverse its polarization by an external bias.
First-principles approach to lattice-mediated magnetoelectric effects.
This work presents a first-principles scheme for the computation of the linear magnetoelectric response of magnetic insulators and applies this method to Cr2O3 and shows that its low-temperature response has a significant lattice character.