413 citations · 6.8k across the 92 of their papers we have counts for
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Spin-phonon coupling effects in transition-metal perovskites:a DFT+ and hybrid-functional study
Jiawang Hong, Alessandro Stroppa, Jorge Íñiguez +2
Spin-phonon coupling effects, as reflected in phonon frequency shifts between ferromagnetic (FM) and G-type antiferromagnetic (AFM) configurations in cubic CaMnO, SrMnO, Ba…
Mechanism of Ferroelectricity in Perovskites - a Model Study
Paolo Barone, Sudipta Kanungo, Silvia Picozzi +1
By means of a model Hamiltonian approach we study the role of volume expansion, Hund's coupling and electron correlation in the standard hybridization mechanism for ferroelectricit…
Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3
D. Okuyama, S. Ishiwata, Y. Takahashi +9
Magnetically-driven ferroelectric atomic displacements of the order of 10_3$ by a single-crystal synchrotr…
Polar distortions in hydrogen bonded organic ferroelectrics
Alessandro Stroppa, Domenico Di Sante, Sachio Horiuchi +3
Although ferroelectric compounds containing hydrogen bonds were among the first to be discovered, organic ferroelectrics are relatively rare. The discovery of high polarization at…
Large ferroelectric polarization in the new double perovskite NaLaMnWO induced by non-polar instabilities
T. Fukushima, A. Stroppa, S. Picozzi +1
Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO compound which has been recently synthesized [Phys. Rev. B 79, 224428…
Theoretical investigation of magnetoelectric effects in Ba2CoGe2O7
Kunihiko Yamauchi, Paolo Barone, Silvia Picozzi
A joint theoretical approach, combining macroscopic symmetry analysis with microscopic methods (density functional theory and model cluster Hamiltonian), is employed to shed light…