Related papers: A Theory for Diffusionless Structural Phase Transi…
High-strain piezoelectric materials are often ceramics with a complicated constitution. In particular, PZT is used with compositions near to a so-called morphotropic phase boundary, where not only different variants of the same phase…
We have investigated temperature and magnetic-field dependence of dielectric properties in the orthorhombic GdMnO$_3$ single crystal which is located near the phase boundary between the ferroelectric/spiral-antiferromagnetic phase and the…
We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters…
The low-temperature crystal structure of Fe1.13Te, which exhibits an anomalous two-step magnetic transition, was clarified by the systematic x-ray diffraction measurements. It was found that two-step structural phase transition,…
Lithium doped sodium niobate is an ecofriendly piezoelectric material that exhibits a variety of structural phase transitions with composition and temperature. We have investigated the phase stabilities of an important composition…
In the paper, the description of the dielectric and ferroelectric properties of BaTiO_3 single crystals using Landau thermodynamic potential is addressed. Our results suggest that when using the sixth-power free energy expansion of the…
We present a minimal Landau theory of plastic-to-crystal phase transitions in which the key components are a multipole-moment order parameter that describes the orientational ordering of the constituent molecules, coupling between such…
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 present experimental evidence of the fact that lysozyme crystals, which are grown from their mother solution and exist in it, dissolve on heating above T=307 K. We argue that the anomaly in the light scattering recently observed at the…
By using a symmetry motivated basis to evaluate local distortions against pair distribution function data (PDF), we show without prior bias, that the off-centre Ti displacements in the archetypal ferroelectric BaTiO3 are zone centred and…
We suggest that the transition to superconductivity in a single crystal of Ba_{0.6}K_{0.4}BiO_3 with a T_c = 32K, and having critical fields with anomalous temperature dependencies and vanishing discontinuities in specific heat and magnetic…
We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous…
The sequence of phase transitions in PbHf0.83Sn0.17O3 has been studied by THz, far infrared and Raman spectroscopies, revealing the complementary behaviour of both, polar and non-polar phonons and their impact on the transition lattice…
The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…
A string of trapped ions at zero temperature exhibits a structural phase transition to a zigzag structure, tuned by reducing the transverse trap potential or the interparticle distance. The transition is driven by transverse, short…
General conditions controlling formation of incommensurate phases (IPs) in crystals undergoing reconstructive phase transitions (RPTs) are analyzed in the framework of a model free phenomenological approach. A universal trend to stabilizing…
In this work we explore the overall structural behaviour of the [(CH3)2NH2][Mn(HCOO)3] multiferroic compound across the temperature range where its ferroelectric transition takes place by means of calorimetry, thermal expansion measurements…
It has been a long challenge to analytically construct the quantitative temperature-dependent multi-well free-energy landscape over the space of order parameters describing phase transitions and associated critical phenomena. Here we…
The structural and magnetic properties of YVO3, NdVO3 and TbVO3 were investigated by single-crystal and powder neutron diffraction. YVO3 shows a structural phase transition at 200 K from an orthorhombic structure with the space group Pbnm…
In view of the strong anisotropy of oxygen diffusion in high-Tc ceramic YBa2Cu3Ox, it is supposed that a polycrystalline sample of this material can be presented as consisting of crystal grains where each grain was formed by a certain…