相关论文: Step Patterns on Vicinal Reconstructed Surfaces

The formation of atomic wires via pseudomorphic step-edge decoration on vicinal silicon surfaces has been analyzed for Ga on the Si(112) surface using Scanning Tunneling Microscopy and Density Functional Theory calculations. Based on a…

We followed the collective atomic-scale motion of Na atoms on a vicinal Cu(115) surface within a time scale of pico to nano-seconds using helium spin echo spectroscopy. The well defined stepped structure of Cu(115) allows us to study the…

Two kinds of configurations involving steps on surfaces are reviewed. The first one results from an initially planar vicinal surface, i.e. slightly deviating from a high-symmetry (001) or (111) orientation. In some cases, these surfaces…

We present first principles calculations of the exchange interactions between magnetic impurities deposited on (001), (110) and (111) surfaces of Cu and Au and analyze them, in particular, in the asymptotic regime. For the (110) and the…

We present a detailed investigation of the structure and activity of extended defects namely monoatomic steps on (1x1)-TiO2(110). Specifically, the two most stable <001> and <1-11> step edges are considered. Employing an automated genetic…

We propose that the phases of all vicinal surfaces can be characterized by four fixed lines, in the renormalization group sense, in a three-dimensional space of coupling constants. The observed configurations of several Si surfaces are…

In low dimensions, conformal anomaly has profound influence on the critical behavior of random surfaces with extrinsic curvature rigidity $1/\a$. We illustrate this by making a small $D$ expansion of rigid random surfaces, where a…

Strain can affect the morphology of a crystal surface, and cause modifications of its reconstruction even when weak, as in the case of mechanical bending. We carried out calculations of strain-dependent surface free energy and direct…

Platinum step edges dominate electrocatalytic activity in fuel cells and electrolysers, yet their atomistic electrochemical behaviour remains poorly understood. Here, we employ \textit{ab initio} molecular dynamics under controlled…

Experiments performed by friction force microscopy at atomic-scale surface steps on graphite, MoS$_2$, and NaCl in ambient conditions are presented. Both step-down and step-up scans exhibit higher frictional forces at the edge, but…

The anisotropic surface free energy, Andreev surface free energy, and equilibrium crystal shape (ECS) z=z(x,y) are calculated numerically using a transfer matrix approach with the density matrix renormalization group (DMRG) method. The…

The formation mechanisms of evaporated Pd islands on the reconstructed Au(111) $22 /times /sqrt{3}$ herringbone surface have been here studied by Scanning Tunneling Microscopy (STM) at room temperature. Atomically resolved STM images at the…

We studied the step dynamics during crystal sublimation and growth in the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps. For this limit we formulate a model free of the quasi-static…

The structure of the Fe3O4(110)-(1x3) surface was studied with scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and reflection high energy electron diffraction (RHEED). The so-called one-dimensional…

Surface reconstructions of Au film on Pd(110) substrate are studied using a local Einstein approximation to quasiharmonic theory with the Sutton-Chen interatomic potential. Temperature dependent surface free energies for different coverages…

The classical approach to protein folding inspired by statistical mechanics avoids the high dimensional structure of the conformation space by using effective coordinates. Here we introduce a network approach to capture the statistical…

Since metallic surface states on (111) noble metals are free-electron like, their propagators can be evaluated analytically. Since they are well-screened, one can use simple tight-binding formalism to study their effects. The needed phase…

We investigate the growth kinetics on vicinal GaAs(001) surfaces by making detailed comparisons between reflection high--energy electron--diffraction specular intensity measured near in--phase diffraction conditions and the surface step…

A hybrid scheme between large-scale electronic structure calculations is developed and applied to nanocrystalline silicon with more than 10$^5$ atoms. Dynamical fracture processes are simulated under external loads in the [001] direction.…

Mound formation on flat and miscut crystal surfaces exhibits distinct growth behaviors. While mound structures are the predominant feature on flat surfaces, miscut surfaces display a smooth transition from meandered patterns to…