Related papers: Pyroelectric vector and related polarization effec…
We investigate the effect of ferroelectric polarization direction on the geometric properties of Pd deposited on the positive and negative surfaces of LiNbO$_3$ (0001). We predict preferred geometries and diffusion properties of small Pd…
Perovskites with Bi or Pb on the A-site host a number of interesting and yet to be understood phenomena such as negative thermal expansion in BiNiO$_3$. We employ hard x-ray photoemission spectroscopy of Ni 2$p$ core-level as well as…
Polar and chiral crystal symmetries confer a variety of potentially useful functionalities upon solids by coupling otherwise noninteracting mechanical, electronic, optical, and magnetic degrees of freedom. We describe two unstudied phases…
Two new types of electro-optic effect that are linear in the applied electric field strength are theoretically predicted to exist in transparent dielectric crystals due to high order spatial dispersion. The first effect, which is quadratic…
For the first time we predict the conditions of superparaelectric phase appearance in the ensemble of non-interacting spherical ferroelectric nanoparticles. The superparaelectricity in nanoparticle was defined by analogy with…
We perform first-principles calculations of optical properties for ferroelectric phase of $LiNbO_3$ crystal using density functional theory for wide range of wavelengths, from far-infrared to ultraviolet. We study frequency dependence of…
A single crystal monolith of La0.9Sr0.1FeO3 and thin pulsed laser deposited film of La0.8Sr0.2Fe0.8Ni0.2O3 were subject to angle integrated valence band photoemission spectroscopy in ultra high vacuum and conductivity experiments in ambient…
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 possibility that metals may support ferroelectricity is an open issue. Anderson and Blount showed that certain martensitic transitions involve inversion symmetry breaking and the formal existence of a polar axis, so 'metallic…
We outline a general perturbative method of evaluating scattering features of finite-range complex potentials and use it to examine complex perturbations of a rectangular barrier potential. In optics, these correspond to modulated…
This review will deal with several types of free charge localisation in oxides and their consequences on the effective dielectric spectra of such materials. The first one is the polaronic localisation at the unit cell scale on residual…
Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of structural phase transitions. We show that the combination of…
The structure and the dielectric properties of Pb(Zn1/3Nb2/3)O3 (PZN) crystal have been investigated by means of high-resolution synchrotron x-ray diffraction (with an x-ray energy of 32 keV) and dielectric spectroscopy (in the frequency…
The spin degree of freedom of charge carriers in halide-perovskite semiconductors can be highly useful for information photonics applications. The Faraday effect is known to be the best indicator of paramagnetism of the material and of the…
Using modified microscopic model of GPI by taking into account the piezoelectric coupling with strains $\varepsilon_i$ in the frames of two-particle cluster approximation, the components of polarization vector and static dielectric…
Conventional perovskite-type ferroelectrics are based on octahedral units of oxygen, and often comprise toxic Pb to achieve robust ferroelectricity. Here, we report the ferroelectricity in a silicate-based compound, Bi2SiO5 (BSO), induced…
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…
A realistic theory of the quantum paraelectric - ferroelectric transition is presented, involving parameters determined from band calculations and a renormalization group treatment of critical fluctuations. The effects of reduced…
Magnetoelectric phenomena are intimately linked to relativistic effects and also require the material to break spatial inversion symmetry and time reversal invariance. Magnetoelectric coupling can substantially affect light-matter…
I define the fields that describe electrical macrostructure, and their rates of change, in terms of the microscopic charge density, electric field, electric potential, and their rates of change. To deduce these definitions, I lay some new…