Related papers: Cation composition effects on oxide conductivity i…
We have investigated the influence of Ca ions substitution on the structural and superconducting properties of (Nd1-xCax)(Ba1.6La0.4)Cu3Oz system. Magnetization, X-ray diffraction and neutron diffraction studies have been carried out on a…
We study electron transport through a domain wall in a ferromagnetic nanowire subject to spin-dependent scattering. A scattering matrix formalism is developed to address both coherent and incoherent transport properties. The coherent case…
The presence of first sharp diffraction peaks in the partial structure factors is investigated in computer simulations of molten mixtures of alkali halides. An intermediate range ordering appears for the Li+ ions only, which is associated…
We study the transition from laminar to chaotic behavior in deterministic chaotic coupled map lattices and in an extension of the stochastic Domany--Kinzel cellular automaton [DK]. For the deterministic coupled map lattices we find evidence…
Similar effects of metal and boron vacancies on phonon scattering and lattice thermal conductivity ($\kappa_l$) of ZrB$_2$ and HfB$_2$ are reported. These defects challenge the conventional understanding that associates larger impacts to…
The effect of disorder on a class of transition metal oxides described by a single orbital Hubbard model at half filling is investigated. The phases are characterized by the nature of the electronic and spin excitations. The frequency and…
We theoretically investigate charge order and nonlinear conduction in a quasi-two-dimensional organic conductor \beta-(meso-DMBEDT-TTF)2PF6 [DMBEDT-TTF=dimethylbis(ethylenedithio)tetrathiafulvalene]. Within the Hartree-Fock approximation,…
In Lithium ion batteries (LIBs), proper design of cathode materials influences its intercalation behavior, overall cost, structural stability, and its impact on environment. At present, the most common type of cathode materials, NCA , has…
Calcium vanadate CaV$_2$O$_4$ has a crystal structure of quasi-one-dimensional zigzag chains composed of orbital-active V$^{3+}$ ions and undergoes successive structural and antiferromagnetic phase transitions at $T_s\sim 140$ K and $T_N…
Here we report on the dynamics of the structural order parameter in a chromium film using synchrotron radiation in response to photo-induced ultra-fast excitations. Following transient optical excitations the effective lattice temperature…
Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a…
We apply dynamical mean field theory to study a prototypical model that describes charge ordering in the presence of both electron-lattice interactions and intersite electrostatic repulsion between electrons. We calculate the optical and…
We present a model of charge transport in organic molecular semiconductors based on the effects of lattice fluctuations on the quantum coherence of the electronic state of the charge carrier. Thermal intermolecular phonons and librations…
Resonant soft X-ray scattering was used to determine the presence of more subtle orderings not detected in standard structural analyses. By tuning to specific Co absorption edges, arrangements particular to the electronic states of those…
We study the influence of structural lattice fluctuations on the elastic electron transport in single-wall carbon nanotubes within a density-functional-based scheme. In the linear response regime, the linear conductance is calculated via…
We report on marked memory effects in the vortex system of twinned YBa2Cu3O7 single crystals observed in ac susceptibility measurements. We show that the vortex system can be trapped in different metastable states with variable degree of…
The alloying effect on the lattice parameters, isostructural mixing enthalpies and ductility of the ternary nitride systems Cr1-xTMxN (TM=Sc, Y; Ti, Zr, Hf; V, Nb, Ta; Mo, W) in the cubic B1 structure has been investigated using…
Knowing the transport properties of iron under realistic conditions present in the Earth's core is essential for the geophysical modeling of Earth's magnetic field generation. Besides by extreme pressures and temperatures, transport may be…
Recently, charge density wave (CDW) order in the CuO$_2$ planes of underdoped YBa$_2$Cu$_3$O$_{6+\delta}$ was detected using resonant soft x-ray scattering. An important question remains: is the chain layer responsible for this charge…
The chemical ordering transition in a binary alloy is examined using classical density functional theory for a binary mixture. The ordered lattice is assumed to be obtained from the disordered lattice by a volume change only, as in L1_2…