Related papers: Charge ordering in oxides : a conundrum solved by …
An explanation is given for the charge order, orbital order and insulating state observed in half-doped manganese oxides, such as Nd$_{1/2}$Sr$_{1/2}$MnO$_{3}$. The competition between the kinetic energy of the electrons and the magnetic…
We present the refinement of the crystal structure of charge-ordered LuFe2O4, based on single-crystal x-ray diffraction data. The arrangement of the different Fe-valence states, determined with bond-valence-sum analysis, corresponds to a…
To sum up, we show in the present paper that magnetic response in Nb$_2$O$_2$F$_3$ at the high-temperatures ($T>$90 K) is related to the orbital selective regime, when part of the electrons form molecular orbitals while other electrons have…
Monte Carlo simulations are performed on the three-dimensional (3D) Ising model with the 2-1-4 layered perovskite structure as a minimal model for checkerboard charge ordering phenomena in layered perovskite oxides. Due to the interlayer…
Valence band electronic structure of mixed uranium oxides (UO2, U4O9, U3O7, U3O8, UO3) has been studied by the resonant inelastic X-ray scattering (RIXS) technique at the U M5 edge and by computational methods. We show here that the RIXS…
The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom-centered,…
High-resolution x-ray scattering, in the presence of an applied current, has been used for studying the stability of the charge ordered phase of manganese oxides upon current biasing. We find that the charge ordered structure is unchanged…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
Understanding the electronic charge distribution around oxygen vacancies in transition metal and rare earth oxides is a scientific challenge of considerable technological importance. We show how significant information about the charge…
The intercalation of alkali ions into layered materials has played an essential role in battery technology since the development of the first lithium-ion electrodes. Coulomb repulsion between the intercalants leads to ordering of the…
Charge disproportionation transitions in complex oxides most commonly link high-temperature phases containing identical cations with the same oxidation state and crystallographic site, to low-temperature phases in which charge transfer…
Polarized Raman spectra of the calcium vanadium oxide bronze beta-Ca0.33V2O5 are measured in the temperature range between 300 K and 20 K. The charge ordering phase transition at about 150 K is characterized by the appearance of the new…
The candidate magnetoelectric Pb3Mn7O15 has a structure consisting of 1/3 filled Kagome layers linked by ribbons of edge-sharing octahedra in the stacking direction. Previous reports have indicated a complex hexagonal-orthorhombic…
Charge ordering, dielectric permittivity and local structure of La5/3Sr1/3NiO4 system have been explored X-ray charge scattering, complex dielectric impedance spectroscopy, and extended X-ray absorption fine structure (EXAFS) measurements,…
We report an inelastic light scattering study of the effects of charge-ordering on the spin-, charge-, and lattice-dynamics in ${\rm Bi}_{1-x}{\rm Ca}_{x}{\rm MnO}_3$ $(x>0.5)$. We find that charge-ordering results in anomalous phonon…
We report a synchrotron x-ray scattering study of the magnetoresistive manganite La_0.875Sr_0.125MnO_3. At low temperatures, this material undergoes an x-ray induced structural transition at which charge ordering of Mn^3+ and Mn^4+ ions…
In this manuscript, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover,…
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments…
A simple model of charge ordering is considered. It is shown explicitly that at any deviation from half-filling ($n \neq 1/2$) the system is unstable with respect to phase separation into charge ordered regions with $n = 1/2$ and metallic…
Monte Carlo simulations have been performed for aqueous charged colloidal suspensions as a function of charge density on the particles and salt concentration. We vary the charge density in our simulations over a range where a reentrant…