相关论文: Proton-transfer Ferroelectricity / Multiferroicity…

Two dimensional multiferroics inherit prominent physical properties from both low dimensional materials and magnetoelectric materials, and can go beyond their three dimensional counterparts for their unique structures. Here, based on…

Ferroelectricity usually fades away when materials are thinned down below a critical value. Employing the first-principles density functional theory and modern theory of polarization, we show that the unique ionic-potential anharmonicity…

We carry out X-ray absorption spectroscopy experiment at oxygen K-edge in croconic acid (C5H2O5) crystal as a prototype of ferroelectric organic molecular solid, whose electric polarization is generated by proton transfer. The experimental…

The ferro-rotational order, whose order parameter (OP) is an axial vector invariant under both time reversal (TR) and spatial inversion (SI) operations, is the last remaining category of ferroics to be observed after the ferroelectric,…

Using a joint approach of density functional theory and model calculations, we demonstrate that a prototypical charge ordered half-doped manganite, La$_{1/2}$Ca$_{1/2}$MnO$_3$ is multiferroic. The combination of a peculiar charge-orbital…

Although rare, spontaneous breakdown of inversion symmetry sometimes occurs in a material which is metallic: these are commonly known as polar metals or ferroelectric metals. Their 'polarization', however, cannot be switched via an electric…

Multiferroics are materials with a coexistence of magnetic and ferroelectric order allowing the manipulation of magnetism by applications of an electric field through magnetoelectric coupling effects. Here we propose an idea to design a…

From first-principles calculations, we investigate the structural instabilities of CaMnO$_3$. We point out that, on top of a strong antiferrodistortive instability responsible for its orthorhombic ground-state, the cubic perovskite…

Layered perovskites $A_3M_2$O$_7$ are known to exhibit the so-called hybrid improper ferroelectricity. Despite experimentally confirmed cases (e.g. nonmagnetic $M$=Ti and Sn), the ferroelectricity in magnetic Ca$_3$Mn$_2$O$_7$ remains a…

"Magnetic ferroelectric" has been found in a wide range of spiral magnets. However, these materials all suffer from low critical temperatures, which are usually below 40 K, due to strong spin frustration. Recently, CuO has been found to be…

Despite remarkable progress in developing multifunctional materials, spin-driven ferroelectrics featuring both spontaneous magnetization and electric polarization are still rare. Among such ferromagnetic ferroelectrics are conical spin…

Motivated by the potential applications of their intrinsic cross-coupling properties, the interest in multiferroic materials has constantly increased recently, leading to significant experimental and theoretical advancements. From the…

Nanoscale ferroelectrics that can be integrated into microelectronic fabrication processes are highly desirable for low-power computing and non-volatile memory devices. However, scalable novel ferroelectric materials, such as hafnium oxide…

While polar metals are a metallic analogue of ferroelectrics, magnetic polar metals can be considered as a metallic analogue of multiferroics. There have been a number of attempts to integrate magnetism into a polar metal by synthesizing…

We report on structural, magnetic, dielectric, and thermodynamic properties of (Eu:Y)MnO3 for Y doping levels 0 <= x < 1. This system resembles the multiferroic perovskite manganites RMnO3 (with R= Gd, Dy, Tb) but without the interference…

Primary ferroicities like ferroelectricity and ferromagnetism are essential physical properties of matter. Multiferroics, with coexisting multiple ferroic orders in a single phase, provide a convenient route to magnetoelectricity. Even so,…

Using first-principles methods, we predict the energy landscape and ferroelectric states of double perovskites of the form AA$'$BB$'$O$_6$ in which the atoms on both the A and B sites are arranged in rock-salt order. While we are not aware…

We have investigated the magnetic and dielectric properties of orthorhombic Eu$_{1-y}$Y$_y$MnO$_3$ ($0\leq y\leq 0.6$) single crystals without the presence of the 4$f$ magnetic moments of the rare-earth ions. In $y\geq 0.2$, the…

We present an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem with quantum mechanical treatment of the ions through solution of…

Tungstates $A$WO$_4$ with the wolframite structure characterized by the $A$O$_6$ octahedral zigzag chains along the $c$-axis, can be magnetic if $A$=Mn, Fe, Co, Cu, Ni. Among them, MnWO$_4$ is a unique member with a cycloid Mn$^{2+}$ spin…