314 citations · 3.7k across the 69 of their papers we have counts for
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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…
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…
Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States
Daniel I. Bilc, Geoffroy Hautier, David Waroquiers +2
Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the ther…
First principles characterization of the P2_1ab ferroelectric phase of Bi2WO6
Hania Djani, Patrick Hermet, Philippe Ghosez
The structural, dielectric, dynamical, elastic, piezoelectric and nonlinear optical (second-order susceptibility and Pockels tensors) properties of Bi2$WO6 in its P2_1ab ferroelect…