Related papers: Electromechanical behavior of BaTiO3 from first pr…
Broadband dielectric spectroscopy (BDS) of pure 5OCB and nanocolloids consisting of 5OCB and paraelectric or ferroelectric BaTiO${_3}$ nanoparticles (NPs) was performed on varying pressure or temperature. We found strong impact of NPs on…
We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which combines molecular dynamics with machine learning…
Monte Carlo simulation based on Metropolis algorithm has been used with a great success to analyze the dynamic phase transition properties of a single spherical core-shell nanoparticle system with a spin-3/2 core surrounded by a spin-1…
We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient…
The interaction of light in terahertz frequency region with electromagnons in a sinusoidal incommensurate magnetic state in TbMnO3 is studied. A significant change in the frequency dependence of the dielectric constant e_zz near the…
In recent years, methods have been developed that allow first-principles electronic-structure calculations to be carried out under conditions of fixed electric field. For some purposes, however, it is more convenient to work at fixed…
The strain dependence of electric and magnetic properties has been widely investigated, both from a fundamental science perspective and an applications point of view. Electromechanical coupling through field-induced polarization rotation…
We have used the Monte Carlo (MC) simulation method with Metropolis algorithm to study the finite temperature phase transition properties of a binary alloy spherical nanoparticle with radius $r$ of the type $A_{p}B_{1-p}$. The system…
The temperature dependence of elastic, dielectric, and piezoelectric properties of (65-x)Pb(Mg1/3Nb2/3)O3-xBaTiO335-PbTiO3 ceramics with x=0, 1, 2, 3, and 4 was investigated. Compound with x=2 was found to exhibit a large piezoelectric…
We use a quantum Monte Carlo method to study the ground state and thermodynamic phase transitions of the spin supersolid phase in the S=1 Heisenberg model with uniaxial anisotropy. The thermal melting of the supersolid phase shows unqiue…
Electric field plays an important role in ferroelectric phase transition. There have been numerous phase field formulations attempting to account for electrostatic interactions subject to different boundary conditions. In this paper, we…
The phase diagram of a quantum paraelectric antiferromagnet EuTiO3 under an external electric field was calculated using Landau-Ginzburg-Devonshire theory. It was shown that the application of an external electric field E leads to the…
The magnetic catalysis of discrete chiral symmetry breaking in the 2+1 dimensional Nambu-Jona-Lasinio model is analyzed. A particular attention is paid to a possible application of the effect in solid state physics. The fermion contribution…
The tetragonal phase of chromium (III) oxide, although unstable in the bulk, can be synthesized in epitaxial heterostructures. The theoretical investigation by density functional theory predicts an antiferromagnetic ground state for this…
High accuracy Monte Carlo study has been performed in the modified planar Lebwohl Lasher model containing and interaction, where and are second and fourth order Legendre polynomial having three-dimensional spin. Weakly First order Nematic…
First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO$_3$. Such parameters include the symmetric exchange (SE) couplings…
One-dimensional model of a system where first-order phase transition occurs is examined in the present paper. It is shown that basic properties of the phenomenon, such as a well defined temperature of transition, are caused both by…
The temperature dependent diffuse reflectance spectroscopy measurements were carried out on the polycrystalline samples of BaTiO3 across the tetragonal to cubic structural phase transition temperature. The values of various optical…
An atomistic effective Hamiltonian is used to compute electrocaloric (EC) effects in rare-earth substituted BiFeO$_{3}$ multiferroics. A phenomenological model is then developed to interpret these computations, with this model indicating…
The elastic response of BaTiO$_3$ single crystals during electric field cycling at room temperature has been studied using in-situ Resonant Ultrasound Spectroscopy (RUS), which allows monitoring of both the elastic and anelastic changes…