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Theoretical prediction of multiferroicity in double perovskite YNiMnO
Sanjeev Kumar, Gianluca Giovannetti, Jeroen van den Brink +1
We put forward double perovskites of the RNiMnO family (with a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calcu…
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…
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…
Multiferroicity in rare-earth nickelates RNiO3
Gianluca Giovannetti, Sanjeev Kumar, Daniel Khomskii +2
We show that charge ordered rare-earth nickelates of the type RNiO3 (R= Ho, Lu, Pr and Nd) are multiferroic with very large magnetically induced ferroelectric (FE) polarizations. T…
First-principles study of the interaction and charge transfer between graphene and metals
P. A. Khomyakov, G. Giovannetti, P. C. Rusu +3
Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates usin…