Related papers: Coexisting conventional and inverse mechanocaloric…
The behavior of PbTiO$_3$ under uniaxial strains and stresses is investigated from first-principles calculations within density functional theory. We show that irrespectively of the uniaxial mechanical constraint applied, the system keeps a…
The electric coupling between surface ions and bulk ferroelectricity gives rise to a continuum of mixed states in ferroelectric thin films, exquisitely sensitive to temperature and external factors, such as applied voltage and oxygen…
Large thermal changes driven by a magnetic field have been proposed for environmentally friendly energy efficient refrigeration, but only a few materials which suffer hysteresis show these giant magnetocaloric effects. Here we create giant…
We investigate the effect of hydrostatic pressure on temperature dependence of magnetization and also the influence of magnetic field on linear thermal expansion in polycrystalline Pr0.6Sr0.4MnO3, which is ferromagnetic at room temperature…
Anomalous electrocaloric effect (ECE) with decreasing temperature upon application of an electric field is known to occur in antiferroelectrics (AFEs), and previous understanding refers to the field-induced canting of electric dipoles if…
The NiTi shape memory alloy exhibited excellent superelastic property and elastocaloric effect. Large temperature changes of 30 K upon loading and -19 K upon unloading were obtained at room temperature, which were higher than those of the…
Solid-state cooling based on i-caloric effects has shown to be a promising alternative to the conventional refrigeration devices. Only very recently, the research on barocaloric materials is receiving a deal of attention due to the…
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…
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,…
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…
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…
We model changes of magnetic ordering in Mn-antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a non-collinear spin-polarised density functional theory to compare the response of the…
We investigated the anisotropy of the magnetic and magnetocaloric properties of singlecrystalline double perovskite Tb2CoMnO6, which crystallizes in a monoclinic P21/n structure. Due to dissimilar magnetic anisotropy, the ferromagnetic…
The interplay between electrochemical surface charges and bulk ferroelectricity in thin films gives rise to a continuum of coupled ferro-ionic states. These states are exquisitely sensitive to chemical and electric conditions at the…
We address the question of how the electrocaloric effect in epitaxial thin films of the prototypical ferroelectric BaTiO$_3$ is affected by the clamping to the substrate and by substrate-induced misfit strain. We use molecular dynamics…
A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…
The multicaloric effect, which represents the reversible entropy change that occurs when both external magnetic and electric fields are applied, is an interesting phenomenon characteristic to multiferroics. Targeting the multicaloric effect…
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…
Over the past decades, there has been significant interest in new cooling technology based on the electrocaloric effect. The large electrocaloric effect observed in polymeric and inorganic ferroelectric materials made possible development…
Ferroelectric materials underlie key optical technologies in optical communications, integrated optics and quantum computing. Yet, there is a lack of a consistent thermodynamic framework to predict the optical properties of ferroelectrics…