Related papers: Probing atomic environments in alloys by electron …
We suggest and implement an approach for the bottom-up description of systems undergoing large-scale structural changes and chemical transformations from dynamic atomically resolved imaging data, where only partial or uncertain data on…
Order versus disorder in the structure of materials plays a key role in the theoretical prediction of their properties. However, this structural description appears to be ineffective for new families of materials such as high entropy alloys…
We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or…
We consider consequences of local disorder in systems experiencing first order phase transitions. Such systems can be of rather different nature. For example, manganates showing gigantic magnetoelectric effect, doped antiferroelectrics or…
Disorder enhances desired properties, as well as creating new avenues for synthesizing materials. For instance, hardness and yield stress are improved by solid-solution strengthening, a result of distortions and atomic size mismatches.…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
We review well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the…
We consider a problem of superconductivity coexistence with the spin-density-wave order in disordered multiband metals. It is assumed that random variations of the disorder potential on short length scales render the interactions between…
Using the transfer matrix technique, we investigate the propagation of electron through a two dimensional disordered sample. We find that the spatial distribution of electrons is homogeneous only in the limit of weak disorder (diffusive…
We provide detailed comparisons between experimental findings and numerical simulations of large cooperatively interacting, spatially disordered metamaterial arrays, consisting of asymmetrically split rings. Simulation methods fully…
Using a non-Hermitian Hamiltonian approach to open systems, we study the interplay of disorder and superradiance in a one-dimensional Anderson model. Analyzing the complex eigenvalues of the non-Hermitian Hamiltonian, a transition to a…
A model including random alloy disorder is used to account for the outstanding optical properties of InGaN quantum wells (QW). The model provides excellent agreement to experimental observations on various structures. This study clarifies…
In order to manipulate the properties of graphene, its very important to understand the electronic structure in presence of disorder. We investigate, within a tight-binding description, the effects of disorder in the on-site (diagonal…
We study the phase diagrams and thermodynamic properties of a system of coexisting itinerant electrons and local pairs (LP), in the presence of diagonal disorder. The model considered takes into account both the charge exchange couplings,…
Segregation to defects, in particular to grain boundaries (GBs), is an unavoidable phenomenon leading to changed material behavior over time. With the increase of available computational power, unbiased quantum-mechanical predictions of…
We investigate a quantum Heisenberg model with both antiferromagnetic and disordered nearest-neighbor couplings. We use an extended dynamical mean-field approach, which reduces the lattice problem to a self-consistent local impurity problem…
Material properties depend sensitively on picometer scale atomic displacements introduced by local chemical fluctuations. Direct real-space, high spatial-resolution measurements of this compositional variation and corresponding distortion…
We demonstrate the effect of introducing controlled disorder in self-assembled three-dimensional photonic crystals. Disorders are induced through controlling the self-assembling process using an electrolyte of specific concentrations.…
The capabilities of image probe experiments are rapidly expanding, providing new information about quantum materials on unprecedented length and time scales. Many such materials feature inhomogeneous electronic properties with intricate…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…