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9 papers · 2 filters
Novel magneto-electric multiferroics from first-principles
Julien Varignon, Nicholas C. Bristowe, Eric Bousquet +1
Interest in first-principles calculations within the multiferroic community has been rapidly on the rise over the last decade. Initially considered as a powerful support to explain…
Coupling and Electrical Control of Structural, Orbital and Magnetic Orders in Perovskites
Julien Varignon, Nicholas C. Bristowe, Eric Bousquet +1
Perovskite oxides are already widely used in industry and have huge potential for novel device applications thanks to the rich physical behaviour displayed in these materials. The…
Cumulant expansion for phonon contributions to the electron spectral function
S. M. Story, J. J. Kas, F. D. Vila +2
We describe an approach for calculations of phonon contributions to the electron spectral function, including both quasiparticle properties and satellites. The method is based on a…
First-Principles study of vibrational and non-collinear magnetic properties of the perovskite to post-perovskite pressure transition of NaMnF3
A. C. Garcia-Castro, A. H. Romero, E. Bousquet
We performed a first-principles study of the structural, vibrational, electronic and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes…
Temperature Dependent Ferromagnetic Resonance via the Landau-Lifshitz-Bloch Equation: Application to FePt
Thomas A. Ostler, Matthew O. A. Ellis, Denise Hinzke +1
Using the Landau-Lifshitz-Bloch (LLB) equation for ferromagnetic materials, we derive analytic expressions for temperature dependent absorption spectra as probed by ferromagnetic r…
First-principles study of PbTiO under uniaxial strains and stresses
Henu Sharma, Jens Kreisel, Philippe Ghosez
The behavior of PbTiO under uniaxial strains and stresses is investigated from first-principles calculations within density functional theory. We show that irrespectively of th…