Related papers: Landau thermodynamic potential for BaTiO_3
Ferroelectric films usually have phase states and physical properties very different from those of bulk ferroelectrics. Here we propose free-standing ferroelectric-elastic multilayers as a bridge between these two material systems. Using a…
We measured the temperature dependences of the capacity and dielectric losses of the tape-casted dense ferroelectric composites consisting of 28 vol.% BaTiO3 nanoparticles (average size 24 nm) in the polyvinyl butyral polymer and 35 vol.%…
First-principles total-energy calculations are carried out for (001) surfaces of the cubic perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2-terminated surfaces are considered, and fully-relaxed atomic…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
Thermal variation of structural property, linear thermal expansion coefficient, resistivity, thermopower and power factor of polycrystalline Bi1-xSbx (x=0.10, 0.14) samples are reported. Temperature-dependent powder diffraction experiments…
Mechanically compatible and electrically neutral domain walls in tetragonal, orthorhombic and rhombohedral ferroelectric phases of BaTiO3 are systematically investigated in the framework of the phenomenological Ginzburg-Landau-Devonshire…
We report the magnetic and electrical characteristics of a polycrystalline specimen of FeTiO3 synthesized at high pressure that is isostructural with acentric LiNbO3 (LBO). Piezoresponse force microscopy, optical second harmonic generation,…
The behavior of various thermodynamic functions in the dependence of degree of energy band occupation and temperature in the one-band tight binding approximation for the crystal was studied. The Fermi energy, density of states, degeneracy…
We show that for Ni$_3$V$_2$O$_8$ long-range ferroelectric and incommensurate magnetic order appear simultaneously in a single phase transition. The temperature and magnetic field dependence of the spontaneous polarization show a strong…
While anomalous diffusion coefficients with non-Arrhenius like temperature dependence are observed in a number of metals, a conclusive comprehensive framework of explanation has not been brought forward to date. Here, we use…
Composition-dependent structural and polar properties of epitaxial short-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrate are investigated with first-principles density-functional theory computational techniques.…
We investigated the electrical conductivity, thermal conductivity and thermopower as a function of Nb content (x) in Ba0.7Eu0.3Ti1-xNbxO3 (x = 0.001- 0.10) in the temperature range T = 400-2 K. The substitution of Nb destabilizes the…
In this paper a comparative structural, dielectric and magnetic study of two langasite compounds Ba$_3$TeCo$_3$P$_2$O$_{14}$ (absence of lone pair) and Pb$_3$TeCo$_3$P$_2$O$_{14}$ (Pb$^{2+}$ 6$s^2$ lone pair) have been carried out to…
We use the self-consistent harmonic approximation (SSCHA) with machine learning interatomic potentials to calculate the effect of $^{18}$O substitution on the properties of quantum paraelectric SrTiO$_3$ (STO). We find that calculations…
Motivated by the recently synthesized cubic phase BaRuO$_{3}$ under high pressure and high temperature, a thorough study has been conducted on its temperature-dependent electronic properties by using the state-of-the-art \textit{ab inito}…
The origin of the unusual 90^o ferroelectric / ferroelastic domains, consistently observed in recent studies on meso and nanoscale free-standing single crystals of BaTiO3 [Schilling et al., Physical Review B, 74, 024115 (2006); Schilling et…
The investigation of the structural phase transition in the vicinity of the Curie temperature $T_c$ of LiNb$_{1-x}$Ta$_x$O$_3$ crystals is motivated by the expected combination of advantageous high-temperature properties of LiNbO$_3$ and…
It has been shown within the Landauer single-channel approach that the presence of the 0.7 anomaly in the conductance of a ballistic microcontact and the respective plateau in the thermopower implies unusual pinning of the potential barrier…
Ferroelectric materials display exotic polarization textures at the nanoscale that could be used to improve the energetic efficiency of electronic components. The vast majority of studies were conducted in two dimensions on thin films, that…
The rotational instability of the electric polarization P during phase transformations between ferroelectric phases is of great practical interest, since it may be accompanied by extremely large values of the piezoelectric coefficient, and…