Related papers: On the theory of ferroelectric solid solutions
Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of structural phase transitions. We show that the combination of…
We derive the Landau-Lifshitz-Bloch (LLB) equation for a two-component magnetic system valid up to the Curie temperature. As an example, we consider disordered GdFeCo ferrimagnet where the ultrafast optically induced magnetization switching…
The hyperkagome-lattice $S=1/2$ Heisenberg ferromagnet is studied by means of the linear spin-wave theory, the double-time temperature Green's function method, high-temperature expansions series analysis, and quantum Monte Carlo simulations…
In this work we investigate Ising and classical Heisenberg models for two and three dimensional lattices in presence of diluted ferromagnetic dimers. For such models the Curie temperature as a function of ratio of intra-dimer exchange…
We study the temperature dependence of discretization errors in nuclear lattice simulations. We find that for systems with strong attractive interactions the predominant error arises from the breaking of Galilean invariance. We propose a…
A method for the calculation of the temperature dependence of dielectric and piezoelectric responses, based on the use of a first-principles effective Hamiltonian, is described. Results are presented for the ferroelectric perovskite PbTiO3.…
The cubic Laves phases including YFe$_2$, YCo$_2$, ZrFe$_2$, and ZrCo$_2$ are considered as promising candidates for application in hydrogen storage and magnetic refrigeration. While YFe$_2$ and ZrFe$_2$ are ferromagnets, alloying with Co…
We present a semi-analytic theory for the Curie temperature in diluted magnetic semi-conductors that treats disorder effects exactly in the effective Heisenberg Hamiltonian, and spin fluctuations within a local RPA. The exchange couplings…
Using the Kondo lattice model with classical spins in infinite dimension, magnetic phase transition in the perovskite-type $3d$ transition-metal oxide (La,Sr)MnO$_3$ is theoretically studied. On the Bethe lattice, the self-consistency…
Temperature measurements of dielectric permittivity are performed for nonstoichiometric ferroelectric lead germanate Pb$_{4.95}$Ge$_3$O$_{11}$ and multiferroic solid solution [N(C$_2$H$_5$)$_4$]$_2$CoClBr$_3$. Unlike the heat capacity data,…
We study the phase transition behavior of the ferroelectric BaTi$_{0.8}$Zr$_{0.2}$O$_3$ in the paraelectric region. The temperature dependencies of thermal, polar, elastic and dielectric properties indicate the presence of local structures…
Statistical theory of the dielectric susceptibility of polar liquid crystals is proposed. The molecules are calamitic or bent-core but the permanent dipole moment is perpendicular to the molecule long axis. The ordering of the phase is…
There has been a surge of experimental effort recently in cooling trapped fermionic atoms to quantum degeneracy. By varying an external magnetic field, interactions between atoms can be made arbitrarily strong. When the S wave scattering…
The temperature dependence of the magnetization and spin-polarization at the Fermi level is investigated for half-metallic ferromagnets. We reveal a new mechanism, where the hybridization of states forming the half-metallic gap depends on…
A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm…
First-principles-based atomistic simulations are used to reveal ferroelectric phases and phase transitions induced in a semiconductor ferroelectric, CsGeBr$_3$, by external loads: hydrostatic pressure, uniaxial and biaxial stresses, and…
An effective Hamiltonian for the ferroelectric transition in PbTiO3 is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
A model for Metal-Ferroelectric-Metal structures with Schottky contacts is proposed. The model adapts the general theories of metal-semiconductor rectifying contacts for the particular case of metal-ferroelectric contact by introducing: the…
The short-range correlations are considered for a two-dimensional hard-core boson model on square lattice within Bethe approximation for the clusters consisting of two and four sites. Explicit equations are derived for the critical…
We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite oxides. We discuss the application of our method to prototypic…