相关论文: Giant voltage amplification from incipient ferroel…
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 domain size dependence of piezoelectric properties of ferroelectrics is investigated using a continuum Ginzburg-Landau model that incorporates the long-range elastic and electrostatic interactions. Microstructures with desired domain…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
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…
The effective barrier height between an electrode and a ferroelectric (FE) depends on both macroscopic electrical properties and microscopic chemical and electronic structure. The behavior of a prototypical electrode/FE/electrode structure,…
The strain dependent functional properties of epitaxial transition metal oxide films can be significantly modified via substrate selection. However, large lattice mismatches preclude dislocation-free epitaxial growth on ferroelectric…
In polar oxide interfaces phenomena such as conductivity, superconductivity, magnetism, one-dimensional conductivity and Quantum Hall states can emerge at the polar discontinuity. Combining controllable ferroelectricity at such interfaces…
Artificially engineered superlattices were designed and fabricated to induce different growth mechanisms and structural characteristics. DC sputtering was used to grow ferromagnetic (La$_{0.8}$Ba$_{0.2}$MnO$_3$) / ferroelectric…
Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations under proper electrostatic and elastic conditions. These…
The giant and negative dielectric tunability of Pb(Fe1/2Nb1/2)1-xTixO3 single crystals is reported. A low field of 120 V/cm can induce a great reduction of the capacitance, and the tunability is larger than 80% in low frequency range (<1…
Despite the technological significance of the tetragonal PbTiO3 for the piezoelectric transducer industry, its high pressure behaviour is quite controversial as two entirely different scenarios, involving pressure induced (1) morphotropic…
The interface between graphene and the ferroelectric superlattice $\mathrm{PbTiO_3/SrTiO_3}$ (PTO/STO) is studied. Tuning the transition temperature through the PTO/STO volume fraction minimizes the adsorbates at the graphene-ferroelectric…
Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is…
We use first-principles density-functional total energy and polarization calculations to calculate the piezoelectric tensor at zero temperature for both cubic and simple tetragonal ordered supercells of Pb_3GeTe_4. The largest piezoelectric…
We analyze recent measurements [R. Blinc, V. V. Laguta, B. Zalar, M. Itoh and H. Krakauer, J. Phys. : Cond. Mat., v.20, 085204 (2008)] of the electric field gradient on the oxygen site in the perovskites SrTiO3 and BaTiO3, which revealed,…
In the first-principles bulk-layer model the superlattice structure and polarization are determined by first-principles computation of the bulk responses of the constituents to the electrical and mechanical boundary conditions in an…
In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special…
Large magnetoelectric response in thin films is highly desired for high-throughput and high-density microelectronic applications. However, the d0 rule in single-phase compounds usually results in a weak interaction between ferroelectric and…
The general approach for the consideration of the magnetoelectric effects in ferroic nanorods is proposed in the framework of the phenomenological theory. The intrinsic surface stress, magneto- and electrostriction as well as piezoelectric…
Hyperferroelectrics are receiving a growing interest thanks to their unique property to retain a spontaneous polarization even in presence of a depolarizing field. Nevertheless, general microscopic mechanisms driving hyperferroelectricity,…