相关论文: Two universality classes for the displacive phase …

Earths lower mantle extending from 670 to 2,990 km deep is predominantly composed of a perovskite-type (Mg,Fe)SiO3 phase1,2. The perovskite phase undergoes a structural phase transition to a post-perovskite phase responsible for D" layer…

We study transitions between phases of matter with topological order. By studying these transitions in exactly solvable lattice models we show how universality classes may be identified and critical properties described. As a familiar…

A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exhibiting strong spin-orbit effects, etc...), via the use of…

Motivated by the experimental synthesis of two-dimensional (2D) perovskite materials, we study the stability of 2D SrTiO$_3$ from first principles. We find that the TiO$_6$ octahedral rotations emerge in 2D SrTiO$_3$ with a rotation angle…

Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…

Up to now the crystallographic structure of the magnetoelectric perovskite EuTiO3 was considered to remain cubic down to low temperature. Here we present high resolution synchrotron X-ray powder diffraction data showing the existence of a…

Topotactic transformations between related crystal structures are a powerful emerging route for the synthesis of novel quantum materials. Whereas most such "soft chemistry" experiments have been carried out on polycrystalline powders or…

Lead titanate (PbTiO3) is a classical example of a ferroelectric perovskite oxide illustrating a displacive phase transition accompanied by a softening of a symmetry-breaking mode. The underlying assumption justifying the soft-mode theory…

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy…

The displacive structural phase transition in a two-dimensional model solid due to Benassi and co-workers [PRL 106, 256102 (2011)] is analyzed using Monte Carlo simulations and finite-size scaling. The model is shown to be a member of the…

First principles linear response calculations are used to investigate the lattice dynamics of what is thought to be the third most abundant phase in the lower mantle, CaSiO_3 perovskite. The commonly assumed cubic structure (Pm3m) is found…

A comprehensive understand of the intrinsic piezoelectric anisotropy stemming from diverse chemical and physical factors is a key step for the rational design of highly anisotropic materials. We performed high-throughput calculations on…

Compounds with distorted perovskite structure of the 4-f and 3-d transition metals with the common formula LnTO3 (where Ln is rare-earth element, T is an element from the Fe group) are the most multifold binary oxides of these two groups…

The two-dimensional (zero magnetic field) Ising model is known to undergo a second order para-ferromagnetic phase transition, which is accompanied by a correlated percolation transition for the Fortuin-Kasteleyn (FK) clusters. In this paper…

The lattice instabilities of perovskite structure oxides are responsible for many of their interesting properties, such as temperature-dependent ferroelectric phase transitions. First-principles calculations using linear response theory…

The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is…

The crystal structures of the Sr1-xCaxRuO3 perovskites are investigated using both long range and local structural probes. High resolution synchrotron powder X-ray diffraction characterization at ambient temperature shows that the materials…

We show that the $t_{2g}^2$ perovskite LaVO$_3$, in its orthorhombic phase, is a rare case of a system hosting an orbital-ordering Kugel-Khomskii phase transition, rather than being controlled by the Coulomb-enhanced crystal-field…

Recently, the number of non-standard percolation models has proliferated. In all these models, there exists a phase transition at which long range connectivity is established, if local connectedness increases through a threshold $p_c$. In…

The complex elastic compliance and dielectric susceptibility of (Na_{0.5}Bi_{0.5})_{1-x}Ba_{x}TiO_{3} (NBT-BT) have been measured in the composition range between pure NBT and the morphotropic phase boundary included, 0 <= x <= 0.08. The…