相关论文: Thermodynamics of Ferrotoroidic Materials: Toroido…
The proton ordering model for the KH$_{2}$PO$_{4}$ type ferroelectrics is modified by taking into account non-linear effects, namely, the dependence of the effective dipole moments on the proton ordering parameter. Within the four-particle…
A series of superlattices composed of ferromagnetic La$_{0.7}$Ca$_{0.3}$MnO$_3$ (LCMO) and ferroelectric/paraelectric Ba$_{1-x}$Sr$_x$TiO$_3$ (0$\leq $x$\leq $1) were deposited on SrTiO$_3$ substrates using the pulsed laser deposition.…
The structural phase transitions of MF$_3$ (M=Al, Cr, V, Fe, Ti, Sc) metal trifluorides are studied within a simple Landau theory consisting of tilts of rigid MF$_6$ octahedra associated with soft antiferrodistoritive optic modes that are…
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…
Thermomechanical cycles with a ferroelectric working substance convert heat to electrical energy. As shown here, magnetoelectrically coupled ferroelectric/ferromangtic composites (also called multiferroics) add new functionalities and allow…
Using the proton ordering model modified by taking into account the dependence of the dipole moments on the order parameter [Vdovych et al, 2014], we explore the piezocaloric and multicaloric effects in the KH$_{2}$PO$_{4}$ type…
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO$_3$-PbZrO$_3$). These large-scale simulations also give insights into the atomistic mechanisms 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…
Magnetocaloric materials, which exploit reversible temperature changes induced by magnetic field variations, are promising for advancing energy-efficient cooling technologies. The potential integration of two-dimensional materials into…
Solid-state cooling presents an energy-efficient and environmentally friendly alternative to traditional refrigeration technologies that rely on thermodynamic cycles involving greenhouse gases. However, conventional caloric effects face…
The proton ordering model for the KH$_{2}$PO$_{4}$ type ferroelectrics is modified by taking into account the dependence of the effective dipole moments on the proton ordering parameter. Within the four-particle cluster approximation we…
We describe magneto-, baro- and elastocaloric effects (MCEs, BCEs and eCEs) in materials which possess both discontinuous (first-order) and continuous (second-order) magnetic phase transitions. Our ab initio theory of the interacting…
Ferroic materials (ferromagnetic, ferroelectric, ferroelastic) usually divide into domains with different orientations of their order parameter. Coupling different ferroic systems creates new functionalities, for instance the electrical…
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
We present a unique example of giant magnetoelectric effect in a conventional multiferroic HoMnO3, where polarization is very large (~56 mC/m2) and the ferroelectric transition temperature is higher than the magnetic ordering temperature by…
In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse…
The electrocaloric effect (ECE) in normal and relaxor ferroelectrics is investigated in the framework of a thermodynamic approach based on the Maxwell relation and a Landau-type free energy model. The static dielectric response of relaxors…
A coupling of the first-order paramagnetic-to-induced-ferromagnetic martensitic and the second-order antiferromagnetic-to-ferromagnetic metamagnetic transitions was found in MnNi0.8Fe0.2Ge alloy. Based on the coupling, a magneto-volume…
We predict the existence of large barocaloric effects above room temperature in the thermoelectric fast-ion conductor Cu$_{2}$Se by using classical molecular dynamics simulations and first-principles computational methods. A hydrostatic…
The thermodynamic model of visco-elastic deformable magnetic materials at finite strains is formulated in a fully Eulerian way in rates with the aim to describe thermoremanent paleomagnetism in crustal rocks. The Landau theory applied to a…