Related papers: Electrocaloric effect in BaTiO$_3$: a first-princi…
Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…
Ferroelectric films usually have phase states and physical properties very different from those of bulk ferroelectrics. Here we propose free-standing ferroelectric-elastic multilayers as a bridge between these two material systems. Using a…
Interface effects on the ferroelectric behavior of PbTiO$_3$ ultrathin films deposited on SrTiO$_3$ substrate are investigated using an interatomic potential approach with parameters fitted to first-principles calculations. We find that the…
Specific heat of polycrystalline BaTiO3 thin films on the fused quartz substrate was measured by ac-hot probe method. Phase transition temperature, excess entropy and spontaneous polarization were determined as a function of film thickness…
The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure,…
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…
We have grown epitaxial thin-films of the orthorhombic phase of YMnO3 oxide on Nb:SrTiO3(001) substrates and their structure, magnetic and dielectric response have been measured. We have found that a substrate-induced strain produces an…
Single-crystalline ferroelectric (FE) perovskites show a large electrocaloric effect at electric field-induced phase transitions, promising for solid-state cooling technologies. However, paraelectric-FE transition temperatures are often too…
Multiferroic BiFeO3 epitaxial films with thickness ranging from 40 nm to 960 nm were grown by pulsed laser deposition on SrTiO3 (001) substrates with SrRuO3 bottom electrodes. X-ray characterization shows that the structure evolves from…
The thermal properties of materials are critically important to various technologies and are increasingly the target of materials design efforts. However, it is only relatively recent advances in first-principles computational techniques…
The structural evolution of epitaxial mono-oriented (i.e. with the c-axis perpendicular to the interface) ferroelectric Pb(Zr0.2,Ti0.8)O3 thin film has been investigated, using high resolution, temperature dependent, X-ray diffraction. The…
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 show that the electrocaloric (EC) effect -- e.g., the temperature change experienced by an insulator upon application of an electric bias -- lends itself to a straightforward interpretation when expressed as a Taylor series in the…
We analyze the temperature dependences of the effective dielectric permittivity of P(VDF-TrFE) films with BaTiO3 nanoparticles (with the average size 24 nm). Transition from a weak to a strong nonlinear temperature dependence of the…
Using a combination of first-principles and effective-Hamiltonian approaches, we map out the structure of BaTiO3 under epitaxial constraints applicable to growth on perovskite substrates. We obtain a phase diagram in temperature and misfit…
The growth of atomically-flat thin films of ferroelectric PbTiO3 on SrTiO3 substrates, using molecular beam epitaxy, is reported. The main issue in the growth of these materials is the high volatility of lead. This can be largely overcome…
Analytical expressions for the magnetoelastic anisotropy constants of cubic magnetic systems are derived for rectangular and oblique distortions originating from epitaxial growth on substrates with lower crystal symmetry. In particular, the…
Recently, lattice dynamics of the highly strained europium monoxide, as a promising candidate for strong ferroelectric-ferromagnet material, applied in the next-generation storage devices, attracted huge attention in the solid-state…
Multiferroic BiFeO$_3$ (BFO) possesses a rich phase diagram that allows strain tuning of its properties in thin-film form. In particular, at large compressive strain, a supertetragonal (T) phase with giant polarization is stabilized over…
We present a combined experimental-theoretical study demonstrating the role of site disorder, off-stoichiometry and strain on the optical behavior of magnetoelectric gallium ferrite. Optical properties such as band-gap, refractive indices…