output
19942026
most citedPhonons and related properties of extended systems from density-functional perturbation theory

10.1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2009 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2009★ 153 cited

Exchange bias driven by the Dzyaloshinskii-Moriya interaction and ferroelectric polarization at G-type antiferromagnetic perovskite interfaces

Shuai Dong, Kunihiko Yamauchi, Seiji Yunoki +6

Exchange bias is usually rationalized invoking spin pinning effects caused by uncompensated antiferromagnetic interfaces. However, for compensated antiferromagnets other extrinsic…

cond-mat.mtrl-sci2009★ 64 cited

First-principles study of the dipole layer formation at metal-organic interfaces

Paul C. Rusu, Gianluca Giovannetti, Christ Weijtens +2

We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of A…

cond-mat.mtrl-sci2009★ 27 cited

Magnetic anisotropy in Li-phosphates and origin of magnetoelectricity in LiNiPO4

Kunihiko Yamauchi, Silvia Picozzi

Li-based phosphates are paradigmatic materials for magnetoelectricity. By means of first-principles calculations, we elucidate the microscopic origin of spin anisotropy and of magn…

cond-mat.mtrl-sci2009★ 102 cited

Evidence for multiferroicity in TTF-CA organic molecular crystals

Gianluca Giovannetti, Sanjeev Kumar, Alessandro Stroppa +2

We show by means of ab-initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic…

cond-mat.mtrl-sci2009★ 107 cited

Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study

Kunihiko Yamauchi, Tetsuya Fukushima, Silvia Picozzi

By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An…

cond-mat.mtrl-sci2009★ 187 cited

First Principles Studies of Multiferroic Materials

Silvia Picozzi, Claude Ederer

Multiferroics, materials where spontaneous long-range magnetic and dipolar orders coexist, represent an attractive class of compounds, which combine rich and fascinating fundamenta…