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Heterostructures based on two dimensional (2D) materials offer the possibility to achieve synergistic functionalities which otherwise remain secluded by their individual counterparts. Herein ferroelectric polarization switching in…
The ground-state structure of monolayers and nanoplatelets of SnS with a thickness from two to five monolayers is calculated from first principles. It is shown that nanoobjects with only odd number of monolayers are ferroelectric. The…
Low dimensional ferroelectrics are highly desired for applications and full of exotic physics. Here a functionalized MXene Hf$_2$CF$_2$ monolayer is theoretically studied, which manifests a nonpolar to polar transition upon moderate biaxial…
In NiTe$_3$O$_6$ with a chiral crystal structure, we report on a giant natural optical rotation of the lowest-energy magnon. This polarization rotation, as large as 140 deg/mm, corresponds to a path difference between right and left…
The family of molecular conductors TMTTF/TMTSF-X demonstrates almost all known electronic phases in parallel with a set of weak structural modifications of anion ordering and mysterious structureless transitions. Only in early 2000's their…
We have investigated the dielectric anomalies associated with spin ordering transitions in the tetragonal spinel Mn$_3$O$_4$, using thermodynamic, magnetic, and dielectric measurements. We find that two of the three magnetic ordering…
The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show…
The coupling between magnetic order and ferroelectricity has been under intense investigation in a wide range of transition-metal oxides. The strongest coupling is obtained in so-called magnetically-induced multiferroics where…
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…
Two-dimensional (2D) ferroelectric materials provide a promising platform for the electrical control of quantum states. In particular, due to their 2D nature, they are suitable for influencing the quantum states of deposited molecules via…
Ferroelectrics are essential in low-dimensional memory devices for multi-bit storage and high-density integration. A polar structure is a necessary premise for ferroelectricity, mainly existing in compounds. However, it is usually rare in…
We clarify the macroscopic symmetry and microscopic model-parameter conditions for emergence of spin-split electronic band structure in collinear antiferromagnets without atomic spin-orbit coupling. By using the microscopic multipole…
Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…
Most non-ferroelectric two-dimensional materials can be endowed with so-called sliding ferroelectricity via non-equivalent homo-bilayer stacking, which is not applicable to mono-element systems like pure graphene bilayer with inversion…
We demonstrate that small but finite ferroelectric polarization ($\sim$0.01 $\mu$C/cm$^2$) emerges in orthorhombic LuFeO$_3$ ($Pnma$) at $T_N$ ($\sim$600 K) because of commensurate (k = 0) and collinear magnetic structure. The synchrotron…
The free energy of antiferroelectric liquid crystal which takes into account polar order explicitly is presented. Steric, van der Waals, piezoelectric and flexoelectric interactions to the nearest layers and dipolar electrostatic…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…
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…
We observe a bilinear magnetic field-induced electric polarization of 50 $\mu C/m^2$ in single crystals of NiCl$_2$-4SC(NH$_2$)$_2$ (DTN). DTN forms a tetragonal structure that breaks inversion symmetry, with the highly polar thiourea…