相关论文: Size-dependent Surface States on Strained Cobalt N…
Surface reconstructions can drastically modify growth kinetics during initial stages of epitaxial growth as well as during the process of surface equilibration after termination of growth. We investigate the effect of activation barriers…
By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…
Systems of superconducting islands placed on normal metal films offer tunable realizations of two-dimensional (2D) superconductivity; they can thus elucidate open questions regarding the nature of 2D superconductors and competing states. In…
Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…
We have used low temperature scanning tunneling spectroscopy and atomic manipulation to study the role of surface-state electrons in the Kondo effect of an isolated cobalt atom adsorbed on Ag(111). We show that the observed Kondo signature…
The equilibrium shapes of InAs quantum dots (i.e., dislocation-free, strained islands with sizes >= 10,000 atoms) grown on a GaAs (001) substrate are studied using a hybrid approach which combines density functional theory (DFT)…
As a departure from existing continuum approaches for describing the stability and evolution of surfaces of crystalline materials, this article provides a description of surface evolution based on the physics of the main feature imposed by…
Tuning a material to the cusp between two distinct ground states can produce exotic physical properties, unlike those in either of the neighboring phases. The prospect of designing a model experimental system to capture such behavior is…
Using computer simulations and scaling ideas, we study one-dimensional models of diffusion, aggregation and detachment of particles from islands in the post-deposition regime, i. e. without flux. The diffusion of isolated particles takes…
Clean Si(111)-(7{x7) surfaces, followed by air-exposure, have been investigated by reflection high energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Fourier transforms (FTs) of STM images show the presence of…
We present an ab initio exploration of the phenomena which will become important for freestanding structures of silicon as they are realized on the nanoscale. We find that not only surface but also edge effects are important considerations…
The atomic structure, mechanical and thermodynamic stability of vacancy clusters in Cu are studied by atomistic simulations. The most stable atomic configuration of small vacancy clusters is determined. The mechanical stability of the…
Electromigration-induced flow of islands and voids on the Cu(001) surface is studied at the atomic scale. The basic drift mechanisms are identified using a complete set of energy barriers for adatom hopping on the Cu(001) surface, combined…
In this work, we present an efficient framework that combines machine learning potential (MLP) and metadynamics to explore multi-dimensional free energy surfaces for investigating solid-solid phase transition. Based on the spectral…
How does magnetism behave when the physical dimension is reduced to the size of nanostructures? The multiplicity of magnetic states in these systems can be very rich, in that their properties depend on the atomic species, the cluster size,…
Iron nanoparticles are among the most promising low-dimensional materials in terms of applications. This particularity is attributable to the magnetic properties of these nanoparticles, which exhibit different allotropes as a function of…
The author used synchrotron x-ray reflectivity to study the ion-size effect for alkali ions (Na$^+$, K$^+$, Rb$^+$, and Cs$^+$), with densities as high as $4 \times 10^{18}- 7 \times 10^{18}$ m$^{-2}$, suspended above the surface of a…
The dependence of the energies and orbital structure of local states in the CuO monolayer on intra- and interatomic Coulomb interactions on copper and oxygen orbitals is studied. The electronic system is described within the eight-band p-d…
The observed height distribution of clusters obtained in strained epitaxy has been often interpreted in terms of electronic effects. We show that some aspects can be explained classically by the interplay of strain and edge energies. We…
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…