Related papers: A compositional ordering-driven morphotropic phase…
Freestanding ferroelectric oxide membranes emerge as a promising platform for exploring the interplay between topological polar ordering and dipolar interactions that are continuously tunable by strain. Our investigations combining density…
Strontium titanate is an incipient ferroelectric in which superconductivity emerges at exceptionally low doping levels. Remarkably, stabilizing the polar phase through strain or chemical substitution has been shown to significantly enhance…
Theoretical {\em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O$_3$-(1-$x$)PbTiO$_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short,…
We have investigated the dielectric properties of Gd$_{1-x}$Tb$_{x}$MnO$_{3}$ crystals in magnetic fields to clarify the crossover between two distinct ferroelectric phases, GdMnO$_{3}$-type (first-order displacive) and TbMnO$_{3}$-type…
We employ a new method for studying compositionally disordered ferroelectric oxides. This method is based on the virtual crystal approximation (VCA), in which two or more component potentials are averaged into a composite atomic potential.…
The lack of inversion symmetry in semiconducting transition metal dichalcogenide monolayers (TMDMs) enables a considerable molecular-level intrinsic piezoelectricity, which opens prospects for atomically-thin piezotronics and…
The issues related to the structure refinement of Pb(ZrxTi1-x)O3 (PZT) solid solutions are discussed. Particular attention is paid on the modelling of the co-existing phases in the vicinity of the morphotropic phase boundary (MPB), where…
In this letter, we report the structural, electronic and ferroelectric properties of the layered mixed-valent transition-metal compound, Sr$_{4}$Fe$_{6}$O$_{12}$ (SFO). We demonstrate how SFO undergoes a phase transition from a…
Multiferroic BiFeO$_3$ (BFO) possesses a rich phase diagram that allows strain tuning of its properties in thin-film form. In particular, at large compressive strain, a supertetragonal (T) phase with giant polarization is stabilized over…
We present an ab initio study of the BFCO solid solution formed by multiferroics BiFeO3 (BFO) and BiCoO3 (BCO). We find that BFCO presents a strongly discontinuous morphotropic transition between BFO-like and BCO-like ferroelectric phases.…
Relaxor ferroelectrics are complex oxide materials which are rather unique to study the effects of compositional disorder on phase transitions. Here, we study the effects of quenched cubic random electric fields on the lattice instabilities…
Information about the crystal structures in the range of morphotropic phase boundary of ferroelectric perovskite solid solutions is important for understanding their intricate properties which result in wide opportunities for practical…
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…
A possibility of use of the controlled decomposition of solid solutions of oxides with perovskite structure in the state of coexisting domains of the antiferroelectric (AFE) and ferroelectric (FE) phases for manufacturing of materials with…
Sm$_2$Ti$_2$O$_7$, a member of rare-earth titanate pyrochlores, exhibits dipolar-octupolar antiferromagnetism below $T_N$ = 0.35 K. We observed two ferroelectric transitions at 182 ($T_{FE1}$) and 52 K ($T_{FE2}$), significantly higher than…
In this paper we provide an accurate high-pressure structural and optical study of MAPbI3 hybrid perovskite. Structural data show the presence of a phase transition towards an orthorhombic structure around 0.3 GPa followed by full…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
The phase diagram of lead-free piezoelectric (1-x)K0.5Na0.5NbO3-xBi0.5Na0.5TiO3 system has been studied by high-resolution synchrotron powder diffraction, neutron powder diffraction and selected area electron diffraction (SAED). The two…
We study from first-principles calculations the ferroelectric structural phase transition of Pb$_5$Ge$_3$O$_{11}$ crystal. The calculations of phonons and Born effective charges of the paraelectric phase allow us to identify a polar…
Phases that go beyond dipolar ordering and into multipolar ordering have recently been observed in magneto-electric materials. The resulting phase diagram is commonly explained using the concept of competing orders and exact microscopic…