Related papers: Phase separation and ferroelectric ordering in cha…
Spin, charge, and orbital structures in models for doped manganites are studied by a combination of analytic mean-field and numerical relaxation techniques. At realistic values for the electron-phonon and antiferromagnetic $t_{2g}$ spin…
A detailed investigation of the out-of-plane electrical properties of charge-ordered alpha-(BEDT-TTF)2I3 provides clear evidence for ferroelectricity. Similar to multiferroic alpha-(BEDT-TTF)2Cu[N(CN)2]Cl, the polar order in this material…
\ We combine density functional theory and molecular dynamics simulations to investigate the impact of Sr concentration and atomic ordering on the structural and ferroelectric properties of (Ba, Sr)TiO$_3$. On one hand, the macroscopic…
We utilize few-level model systems to analyze the polarization and phase properties of below-threshold harmonics generated from aligned molecules. In a two-level system, we find that the phase of emitted harmonics undergoes a distinct…
The nature of the phase separation in KxFe2-ySe2 single crystals is not well understood. Here, temperature dependent SEM images provide compelling evidence that phase separation corresponds to a nucleation and growth process rather than a…
We carry out first-principles density-functional-theory calculations to elucidate the polarization switching mechanism in charge-ordering-induced ferroelectrics based on the prototypical case of the (SrVO$_3$)$_1$(LaVO$_3$)$_1$…
By performing accurate ab-initio density functional theory calculations, we study the role of $4f$ electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO$_{3}$. We confirm that the ferroelectric polarization is…
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…
We present Raman scattering studies of the structural and magnetic phases that accompany temperature- and field-dependent melting of charge- and orbital-order (COO) in La0.5Ca0.5MnO3 and La0.25Pr0.375Ca0.375MnO3. Our results show that…
We study a 3-dimensional Ising model in which the tendency to order due to short-range ferromagnetic interactions is frustrated by competing long-range (Coulombic) interactions. Complete ferromagnetic ordering is impossible for any nonzero…
Trirutile-type LiFe$_2$F$_6$ is a charge-ordered material with Fe$^{2+}$/Fe$^{3+}$ configuration. Here its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On…
We use neutron scattering to demonstrate that electron-doped superconducting Pr0.88LaCe0.12CuO4 in the underdoped regime is electronically phase separated in the ground state, showing the coexistence of a superconducting phase with a…
The phase diagram of the half-filled spinless Holstein model for electrons interacting with quantum phonons is derived in three dimensions extending at finite temperature $T$ a variational approach introduced for the one-dimensional T=0…
The rotational instability of the electric polarization P during phase transformations between ferroelectric phases is of great practical interest, since it may be accompanied by extremely large values of the piezoelectric coefficient, and…
The charge state of dielectric surfaces in aqueous environments is of fundamental and technological importance. Here, we study the influence of dissolved molecular CO$_2$ on the charging of three, chemically different surfaces (SiO$_2$,…
Polycrystalline CuO samples with Co doping were prepared by solid state method with flowing oxygen condition and examined their structural and multiferroic properties. Structural studies have confirmed single phase monoclinic crystal…
A possible mechanism of electronic phase separation in the systems with orbital ordering is analyzed. We suggest a simple model taking into account an interplay between the delocalization of charge carriers introduced by doping and the…
In this work, we investigate the representative case of the homometallic Co ludwigite Co$^{2+}_2$Co$^{3+}$O$_2$BO$_3$ ($Pbam$ space group) with four distinct Co crystallographic sites [$M1$-$M4$] surrounded by oxygen octahedra. The…
There is growing evidence that the unconventional spatial inhomogeneities in the doped high-Tc superconductors are accompanied by the pairing of electrons, subsequent quantum phase transitions (QPTs), and condensation in coherent states. We…
Measurements of the electrical and thermal conductivities, thermopower and paramagnetic susceptibility have been performed on single crystal samples of Bi1/2Sr1/2MnO3 and complemented with the X-ray powder diffraction data. A pronounced…