ﻻ يوجد ملخص باللغة العربية
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 bending simulations demonstrating the change of incommensurate reconstruction in Au(111) under strain, in good agreement with recent data. Time-dependent strain should cause a sliding of the topmost layer over the second, suggesting an interesting case of nanofriction. Bending strain could also be used to fine tune the spacing of selectively absorbed nanoclusters.
We analyze the basic structural units of simple reconstructions of the (111) surface of SrTiO3 using density functional calculations. The prime focus is to answer three questions: what is the most appropriate functional to use; how accurate are the e
Off-lattice Grand Canonical Monte Carlo simulations of the clean diamond (111) surface, based on the effective many-body Brenner potential, yield the $(2times1)$ Pandey reconstruction in agreement with emph{ab-initio} calculations and predict the exi
Single crystalline bismuth (Bi) is known to have a peculiar electronic structure which is very close to the topological phase transition. The modification of the surface states of Bi depending on the temperature are revealed by angle-resolved photoel
Surface alloying is a straightforward route to control and modify the structure and electronic properties of surfaces. Here, We present a systematical study on the structural and electronic properties of three novel rare earth-based intermetallic com
We present density-functional results on the lifetime of the (111) surface state of the noble metals. We consider scattering on the Fermi surface caused by impurity atoms belonging to the 3d and 4sp series. The results are analyzed with respect to fi