Related papers: On the theory of ferroelectric solid solutions
An exactly solvable lattice model with infinite-range potential is applied to uniaxial ferroelectrics. Asymptotically exact expression for free energy as a function of an order parameter at any temperatures is obtained. Effect of thermal…
We present a theory to model carrier mediated ferromagnetism in concentrated or diluted local moment systems. The electronic subsystem of the Kondo lattice model is described by a combined equation of motion / coherent potential…
The infinite-dimensional Hubbard model is studied by means of a modified perturbation theory. The approach reduces to the iterative perturbation theory for weak coupling. It is exact in the atomic limit and correctly reproduces the…
High-accuracy Swendsen and Wang Monte Carlo simulations were performed to study the Curie temperature of ferromagnetic, binary Ising systems on the square lattice. Our results are compared with mean-field like approaches. Based on these…
We consider a finite ferroelectric superlattice in which the elementary unit cell is made up of l atomic layers of type A and n atomic layers of type B. Based on the transverse Ising model we examine the phase transition properties of the…
Using the Swendsen and Wang algorithm, high accuracy Monte Carlo simulations were performed to study the concentration dependence of the Curie temperature in binary, ferromagnetic Ising systems on the simple-cubic lattice. Our results are…
In this paper, the Curie temperature of ferroelectric films is studied using spin-1/2 transverse Ising model with long-range interaction within the framework of the effective-field theory. The dependence of the Curie temperature on the…
Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of…
The Hubbard model on fcc-type lattices is studied in the dynamical mean-field theory of infinite spatial dimensions. At intermediate interaction strength finite temperature Quantum Monte Carlo calculations yield a second order phase…
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles…
Theoretical prediction of Curie temperature (TC) is of vital importance for designing the spintronic devices in two-dimensional (2D) ferromagnetic materials. Herein, based on the extensive investigation of Monte Carlo simulations, we…
In the paper the Curie temperatures of selectively diluted planar Ising ferromagnet on the triangular lattice are calculated vs. concentration of magnetic atoms. Various analytical approaches are compared with the exact numerical…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
This work is concerned with thermal quantum states of Hamiltonians on spin and fermionic lattice systems with short range interactions. We provide results leading to a local definition of temperature, thereby extending the notion of…
Effective models are derived from the ferromagnetic Kondo lattice model with classical corespins, which greatly reduce the numerical effort. Results for these models are presented. They indicate that double exchange gives the correct order…
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies,…
Since the initial investigation by Matsui and Satz heavy quark bound states at finite temperature have been subject to numerous studies. The derivation of a finite-temperature potential from first principles was attempted only recently…
Ab initio calculations are utilized as an input to develop a simple model of polarization in epitaxial short-period CaTiO3/SrTiO3/BaTiO3 superlattices grown on a SrTiO3 substrate. The model is then combined with a genetic algorithm…
The pressure dependence of electronic structure, exchange interactions and Curie temperature in ferromagnetic Heusler alloy Ni2MnSn has been studied theoretically within the framework of the density-functional theory. The calculation of the…
Self - consistent temperature dependence of the average magnetization in quantum Heisenberg ferromagnet is obtained as a first approximation of perturbation theory on an inverse radius by application of the functional method for quantum…