相关论文: Electrocaloric effect in BaTiO$_3$: a first-princi…
We study the electrocaloric effect in the classic ferroelectric BaTiO3 through a series of phase transitions driven by applied electric field and temperature. We find both negative and positive electrocaloric effects, with the negative…
A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm…
Using first-principles calculations we determine the role of compressive and tensile uniaxial and equibiaxial strain on the structural, electronic and magnetic properties of V$_2$O$_3$. We find that compressive strain increases the energy…
SrTiO$_3$ thin films were used as a model system to study the effects of strain and epitaxial constraint on structural phase transitions of perovskite films. The basic phenomena revealed will apply to a variety of important structural…
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…
Giant electrocaloric (EC) effect is observed in BaTiO3 multilayer thick film structure. The temperature change is as high as 4.0 oC under an applied electric field of 352 kV/cm. Most importantly, the EC effect is found to depend on the…
Epitaxial strain is a powerful means to engineer emergent phenomena in thin films and heterostructures. Here, we demonstrate that KTaO3, a cubic perovskite in bulk form, can be epitaxially strained into a highly tunable ferroelectric. KTaO3…
The epitaxial strain effects on the magnetic ground state of YTiO$_3$ films grown on LaAlO$_3$ substrates have been studied using the first-principles density-functional theory. With the in-plane compressive strain induced by LaAlO$_3$…
The ferromagnetic properties of epitaxial La$_{0.5}$Sr$_{0.5}$CoO$_3$ thin films have been studied. The magnetic transition is affected by both strain and finite thickness. We have used a series of films of different thickness and on…
We report on a systematic study of strain effects on the transport properties and the ferromagnetic transition temperature $T_{c}$ of high-quality La$_{0.9}$Sr$_{0.1}$MnO$_{3}$ thin films epitaxially grown on (100) SrTiO$_{3}$ substrates.…
We report the discovery of serendipitous electrocaloric effects in commercial multilayer capacitors based on ferroelectric BaTiO3. Direct thermometry records ~0.5 K changes due to 300 kV cm-1, over a wide range of temperatures near and…
A Landau-Ginsburg-Devonshire-type nonlinear phenomenological theory is presented, which enables the thermodynamic description of dense laminar polydomain states in epitaxial ferroelectric thin films. The theory explicitly takes into account…
The influence of defect dipoles on the electrocaloric effect (ECE) in acceptor doped BaTiO$_3$ is studied by means of lattice-based Monte-Carlo simulations. A Ginzburg-Landau type effective Hamiltonian is used. Oxygen vacancy-acceptor…
The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, \DeltaT, is…
Ferroelectric BaTiO3 films with large polarization have been integrated with Si(001) by pulsed laser deposition. High quality c-oriented epitaxial films are obtained in a substrate temperature range of about 300 deg C wide. The deposition…
A thermodynamic theory is developed for dense laminar domain structures in epitaxial ferrolectric films. It is found that, at some critical misfit strain between the film and substrate, the 90 degrees c/a/c/a domain structure becomes…
We investigate the influence of a well-defined reversible biaxial strain <=0.12 % on the magnetization (M) of epitaxial ferromagnetic manganite films. M has been recorded depending on temperature, strain and magnetic field in 20 - 50 nm…
Effect of misfit strain in the layers of (Ga,Mn)(Bi,As) quaternary diluted magnetic semiconductor, epitaxially grown on either GaAs substrate or (In,Ga)As buffer, on their magnetic and magneto-transport properties has been investigated.…
Refrigeration systems based on compression of greenhouse gases are environmentally threatening and cannot be scaled down to on-chip dimensions. In the vicinity of a phase transition caloric materials present large thermal responses to…
Heterostructures consisting of PbZr0.2Ti0.8O3 and PbZr0.4Ti0.6O3 films grown on a SrTiO3 (100) substrate with a SrRuO3 bottom electrode were prepared by pulsed laser deposition. Using the additional interface provided by the ferroelectric…