Related papers: Improper Ferroelectricity at the Monolayer Limit
The suppression of ferroelectricity in ultrathin films of improper ferroelectric hexagonal ferrites or manganites has been attributed to the effect of interfacial clamping, however, the quantitative understanding and related…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO$_3$ ultra-thin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the…
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…
Ferroelectricity has recently been demonstrated in germanium-based inorganic halide perovskites. We use atomistic first-principles-based simulations to study ultra-thin CsGeBr$_3$ films with thicknesses of 4-18 nm and develop a theory for…
From an experimental point of view, room temperature ferroelectricity in BiFeO3 is raising many questions. Electric measurements made a long time ago on solid-solutions of BiFeO3 with Pb(Ti,Zr)O3 indicate that a spontaneous electric…
Multiferroic materials open up the possibility to design novel functionality in electronic devices, with low energy consumption. However, there are very few materials that show multiferroicity at room temperature, which is essential to be…
Ferroelectric (FE) size effects against the scaling law were reported recently in ultrathin group-IV monochalcogenides, and extrinsic effects (e.g. defects and lattice strains) were often resorted to. Via first-principles based…
In spite of being highly relevant for the development of a new generation of information storage devices, not many single-phase materials displaying magnetic and ferroelectric orders above room temperature are known. Moreover, these…
We study ferroelectricity in thin films of pseudo-proper ferroelectrics such as the so-called spiral multiferroics. We find that this type of ferroelectricity stands better against depolarizing fields than conventional one. Its…
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…
The temperature-dependent polarization of SrTiO_3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and inhomogeneous in-plane ferroelectric phase are identified from images of the linear…
The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-circuit electrical boundary conditions, (001) films with…
The ferroelectric properties of disorder Pb(Zr$_{0.5}$Ti$_{0.5}$)O$_{3}$ thin films are investigated with Monte Carlo simulations on the basis of a first-principles-derived Hamitonian. It is found that there exists a critical thickness of…
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…
Ferroelectricity at room temperature has been demonstrated in nanometer-thin quasi 2D croconic acid thin films, by the polarization hysteresis loop measurements in macroscopic capacitor geometry, along with observation and manipulation of…
Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable…
SrTiO$_{3}$ is known to be an incipient ferroelectric. It is thought that ferroelectric stability in SrTiO$_{3}$ is suppressed by a delicate competition with quantum fluctuation and antiferrodistortion. The ferroelectric phase can, however,…
Previous studies showed that, as ferroelectric films become thinner, their Curie temperature (Tc) and polarization below Tc both typically decrease. In contrast, a recent experiment [Chang et al., Science 353, 274 (2016)] observed that…
SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…
Ferromagnetism and electrical insulation are often at odds, signifying an inherent trade off. The simultaneous optimization of both in one material, essential for advancing spintronics and topological electronics, necessitates the…