相关论文: Modelling impurity-assisted chain creation in nobl…
We present a computational framework that integrates machine learning with high-throughput \textit{ab initio} calculations to screen over 2.8 million compounds for metallic transport. We identify several intermetallic candidates with…
Impurity effects are probes for revealing an unconventional property in superconductivity. We study effects of non-magnetic impurities, in a 2D topological superconductor with s-wave pairing, the Rashba spin-orbit coupling, and the Zeeman…
It is known that ion-irradiation can lead surfaces to spontaneously develop patterns with characteristic length scales on the order of only a few nanometers. Pattern formation typically occurs only for irradiation angles beyond a critical…
In this work we undertake the problem of a transition metal impurity in an oxide. We present an ab-initio study of the relaxations introduced in TiO2 when a Cd impurity replaces substitutionally a Ti atom. Using the Full-Potential…
We investigate the spin chain model composed of periodic array of two kinds of spins $S_1$ and $S_2$, which allows us to study the spin chains with impurities as well as the alternating spin chains in a unified fashion. By using the…
In ordinary metals, antiferromagnetic exchange between conduction electrons and a magnetic impurity leads to screening of the impurity spin below the Kondo temperature, $T_K$. In systems such as semimetals, small-gap semiconductors and…
We reveal the role of aurophilic interactions in the formation and conductance of gold cyanide molecular wires of variable length-to-width ratios assembled at the tip of an STM break junction in ambient conditions. Specifically, we identify…
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing methods. Many important structures are thus missing in the…
We suggest that highly conducting oriented polymers with a fibril structure can be modeled by a regular lattice of disordered metallic wires with a random first-neighbor interwire coupling which mimics the cross-links between fibrils. We…
Additive manufacturing (AM) technology is undergoing rapid development and emerging as an advanced technique that can fabricate complex near-net shaped and light-weight metallic parts with acceptable strength and fatigue performance. A…
Spin models that have been proposed to describe dimerized chains, ladders, two dimensional antiferromagnets, and other compounds are here studied when some spins are replaced by spinless vacancies, such as it occurs by $Zn$ doping. A small…
We formulate a multiscale model of adhesive layers undergoing impurity-dependent cohesive fracture. The model contemplates three scales: i) at the atomic scale, fracture is controlled by interatomic separation and the thermodynamics of…
We study the impurity suppression of the critical temperature $T_c$ of the FeAs superconductors theoretically based on the the $\pm$s-wave pairing state of a two band model. The effects of non-magnetic and magnetic impurities are studied…
We show that doping a Majumdar--Ghosh chain with non-magnetic impurities does {\it not} produce almost free spins 1/2. The difference between this system and other spin liquids, such as unfrustrated spin ladders, is illustrated in the…
Based on the five-orbital model, we study the effect of local impurity in iron pnictides, and find that the interband impurity scattering is promoted by the d-orbital degree of freedom. This fact means that the fully-gapped sign-reversing…
We study the impact of impurities on turbulence driven intrinsic rotation (via residual stress) in the context of the quasi-linear theory. A two-fluid formulation for main and impurity ions is employed to study ion temperature gradient…
The spectroscopic characteristics of systems with adsorbed d impurities on noble metal surfaces should depend on the number and geometric arrangement of the adsorbed atoms and also on their d band filling. Recent experiments using scanning…
We propose a theory of the origin of transport nonuniversality in disordered insulating-conducting compounds based on the interplay between microstructure and tunneling processes between metallic grains dispersed in the insulating host. We…
Two integrable spin ladder systems with different types of impurities are proposed. The impurities are introduced in such a way that the integrability of the models is not violated. The models are solved exactly and the Bethe ansatz…
We study scattering of waves by impurities in strongly precompressed granular chains. We explore the linear scattering of plane waves and identify a closed-form expression for the reflection and transmission coefficients for the scattering…