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The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional…
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…
Electric field dependent mechanical properties of relaxor ferroelectric material Pb(Mn1/3Nb2/3)O3-PbTiO3 are investigated with the nanoindentation technique. Giant electric-field-tunable apparent elastic modulus (up to -39%), hardness (-9%…
In this paper we study the size effects of the ferroelectric nanotube and nanowire phase diagrams and polar properties allowing for radial stress and depolarization field influence. The approximate analytical expression for the…
The advantage of optical bistability (OB) using three-level electromagnetically induced transparency (EIT) atomic system over the two-level system is its controllability, as absorption, dispersion, and optical nonlinearity in one of the…
Second harmonic (SH) radiation can only be generated in non-centrosymmetric bulk crystals under the electric-dipole approximation. Nonlinear thin films made from bulk crystals are technologically challenging because of complex and high…
We investigate the optical property of monolayer and layered BiI$_3$ and reveal the presence of exciton only in the monolayer crystal. We evaluate the energy spectrum of a dielectric function by using time-dependent density functional…
The multiferroic properties of EuTiO3 are greatly enhanced when a sample is strained, signifying that coupling between strain and structural, magnetic or ferroelectric order parameters is extremely important. Here resonant ultrasound…
We investigate the lattice structure of heterostructures comprising of ferroelectric BaTiO$_3$ (BTO) thin films and BaBiO$_3$ (BBO), the insulating parent-compound of the high Tc superconductor. Motivated by theoretical predictions of…
Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its reversal have not yet been demonstrated. Here, we report that the…
We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 \AA thick with polarization normal to the surface. Under short-circuit…
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…
Complex oxide heterointerfaces and van der Waals heterostructures present two versatile but intrinsically different platforms for exploring emergent quantum phenomena and designing new functionalities. The rich opportunity offered by the…
We report exchange bias (EB) effect in the Au-Fe3O4 composite nanoparticle system, where one or more Fe3O4 nanoparticles are attached to an Au seed particle forming dimer and cluster morphologies, with the clusters showing much stronger EB…
The magnetoelectric coupling effect serves as a crucial bridge between electrical and magnetic order parameters in condensed matter physics, forming the physical basis for the development of next-generation low-power information storage and…
We find, with the use of first-principles calculations, that a single-atom-thick boron-nitride (BN) sheet exhibits an unusual nonlinear electromechanical effect: it becomes macroscopically polarized when bent out-of-plane. The direction of…
Heterostructures based on two dimensional (2D) materials offer the possibility to achieve synergistic functionalities which otherwise remain secluded by their individual counterparts. Herein ferroelectric polarization switching in…
Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity could, for example, enable broadband, strain-tunable…
We calculate the bulk photovoltaic response of the ferroelectrics BaTiO$_3$ and PbTiO$_3$ from first principles by applying "shift current" theory to the electronic structure from density functional theory. The first principles results for…
The structure of the ferroelectric phase of undoped KTiOPO$_4$ and its solid solutions with zirconium and niobium is studied from first principles within the density functional theory. The second-order nonlinear susceptibility tensor and…