Related papers: From a superconductor NdNiO$_2$ to a Mott multifer…
We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using density functional theory within the general gradient…
Ab initio calculations of the electric polarization of correlation-driven insulating materials, namely Mott insulators, have not been possible so far. Using a combination of density functional theory and dynamical-mean-field theory we study…
The recent discovery of Sr-doped infinite-layer nickelate $\textrm{NdNiO}_2$ [D. Li et al. Nature 572, 624 (2019)] offers an exciting platform for investigating unconventional superconductivity in nickelatebased compounds. In this work, we…
The number of magnetoelectric multiferroic materials reported to date is scarce, as magnetic structures that break inversion symmetry and induce an improper ferroelectric polarization typically arise through subtle competition between…
The search for oxide materials with physical properties similar to the cuprate high Tc superconductors, but based on alternative transition metals such as nickel, has grown and evolved over time. The recent discovery of superconductivity in…
BiNiO$_3$ exhibits an unusual metal-insulator transition from $Pnma$ to $P\overline{1}$ that is related to charge ordering at the Bi sites, which is intriguingly distinct from the charge ordering at Ni sites usually observed in related…
We report NdCrTiO5 to be an unusual multiferroic material with large magnetic field dependent electric polarization. While magneto-electric coupling in this two magnetic sub-lattice oxide is well established, the purpose of this study is to…
From magnetic susceptibility, dielectric permittivity, electric polarization and specific heat measurements, we discover spin-induced ferroelectricity and magnetoelectric coupling in Mn3TeO6 and observe two successive magnetic transitions…
We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic…
Multiferroic materials have garnered wide interest for their exceptional static and dynamical magnetoelectric properties. In particular, type-II multiferroics exhibit an inversion-symmetry-breaking magnetic order which directly induces a…
The discovery of superconductivity in Sr-doped NdNiO$_{2}$ is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO$_2$ is the infinite-layer…
Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of novel memory devices that allow for electrical writing and non-destructive magnetic readout operation. The…
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the…
Magnetoelectric multiferroics are key materials for next-generation spintronic devices due to their entangled magnetic and ferroelectric properties. Spiral multiferroics possess ferroelectric polarization and are particularly promising for…
We have performed dielectric measurements and neutron diffraction experiments on the double perovskite In2NiMnO6. A ferroelectric polarization, P ~ 30 {\mu}C/m2, is observed in a polycrystalline sample below TN = 26 K where a magnetic phase…
We report a neutron diffraction study of the multiferroic mechanism in (ND4)2FeCl5D2O, a molecular compound that exhibits magnetically induced ferroelectricity. This material exhibits two successive magnetic transitions on cooling: a…
Coupling between different interactions allows to control physical aspects in multifunctional materials by perturbing any of the degrees of freedom. Here, we aim to probe the correlation among structural, electronic and magnetic observables…
Motivated by the recent theoretical materials design of superconducting $d^9$ nickelates for which the charge transfer from the NiO$_2$ to the block layer is completely suppressed [M. Hirayama $\textit{et al.}$, Phys. Rev. B $\textbf{101}$,…
Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no…
Multiferroics with $d^9$ electronic configurations, such as $SnCuO_2$, $PbCuO_2$, and $BiNiO_2$, exhibit coexisting antiferromagnetic order and ferroelectricity. Motivated by the fundamental link between symmetry breaking, strong electron…