Related papers: Cation composition effects on oxide conductivity i…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
Cubic yttria-stabilized zirconia is widely used in industrial electrochemical devices. While its fast oxygen ion diffusion is well understood, why cation diffusion is much slower-its activation energy (~5 eV) is 10 times that of anion…
We study the effect of disorder on the particle density evolution in a classical Hamiltonian driven lattice setup. If the disorder is localized within a finite sub-domain of the lattice, the emergence of strong tails in the density…
Complex oxides are well known to develop oxygen ordering patterns with well defined periodicities, but their interplay with electronic correlations remains largely unexplored. Here, we report resonant and non-resonant x-ray diffraction data…
Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathode structures with cation disorder were once considered…
Even if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will be discussed: a Cantor-type system…
Basic mechanisms controlling orbital order and orbital fluctuations in transition metal oxides are discussed. The lattice driven classical orbital picture, e.g. like in manganites LaMnO$_3$, is contrasted to the quantum behavior of orbitals…
Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physics. Here, we investigate the microscopic mechanisms…
We have carried out an investigation of the structural, magnetic, transport and superconducting properties of Fe$_{1+z}$Te$_{1-x-y}$Se$_x$S$_y$ ceramic compounds, for $z=0$ and some specific Se (0$\leq$ x $\leq$ 0.5) and S (0 $\leq$ y…
We study the effects of disorder on strongly coupled compressible matter in 2+1 dimensions. Our system consists of a D3/D5 intersection at finite temperature and in the presence of a disordered chemical potential. We first study the impact…
Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices. Although it is…
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…
We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a…
The spin-frustrated conductor Mn$_3$Pt exhibits a characteristic magnetic structure called partial disorder in which some spin sites can form magnetic order through the generation of non-ordered sites that locally relieve the frustration.…
Within a phase field approach which takes the strain-induced elasticity into account, the kinetics of the coherent order-disorder transition is investigated for the specific case of $Al_3 Zr$ alloy. It is shown that a microstructure with…
A series of CaxCoO2 (0.15 <= x <= 0.40) materials have been prepared by means of ion exchange reaction from NaxCoO2. Transmission electron microscopy (TEM) measurements revealed a rich variety of structural phenomena resulting from cation…
Disorder can have a dominating influence on correlated and quantum materials leading to novel behaviors which have no clean limit counterparts. In magnetic systems, spin and exchange disorder can provide access to quantum criticality,…
Defective half-Heusler systems X(1-x)YZ with large amounts of intrinsic vacancies, such as Nb(1-x)CoSb, Ti(1-x)NiSb and V(1-x)CoSb, are a group of promising thermoelectric materials. Even with high vacancy concentrations they maintain the…
Rydberg atom arrays promise high-fidelity quantum simulations of critical phenomena with flexible geometries. Yet experimental realizations inevitably suffer from disorder due to random displacements of atoms, leading to departures from the…
In this letter we perform an experimental study of ionic transport and current fluctuations inside individual Carbon Nanotubes (CNT). The conductance exhibits a power law behavior at low salinity, with an exponent close to 1/3 versus the…