Solitonic-exchange mechanism of surface~diffusion

We study surface diffusion in the framework of a generalized Frenkel-Kontorova model with a nonconvex transverse degree of freedom. The model describes a lattice of atoms with a given concentration interacting by Morse-type forces, the lattice being subjected to a two-dimensional substrate potential which is periodic in one direction and nonconvex (Morse) in the transverse direction. The results are used to describe the complicated exchange-mediated diffusion mechanism recently observed in MD simulations [J.E. Black and Zeng-Ju Tian, Phys. Rev. Lett. {\bf 71}, 2445-2448(1993)].Comment: 22 Revtex pages, 9 figures to appear in Phys. Rev.

Non-Arrhenius Behavior of Surface Diffusion Near a Phase Transition Boundary

We study the non-Arrhenius behavior of surface diffusion near the second-order phase transition boundary of an adsorbate layer. In contrast to expectations based on macroscopic thermodynamic effects, we show that this behavior can be related to the average microscopic jump rate which in turn is determined by the waiting-time distribution W(t) of single-particle jumps at short times. At long times, W(t) yields a barrier that corresponds to the rate-limiting step in diffusion. The microscopic information in W(t) should be accessible by STM measurements.Comment: 4 pages, Latex with RevTeX macro

Symmetries and modelling functions for diffusion processes

A constructive approach to theory of diffusion processes is proposed, which is based on application of both the symmetry analysis and method of modelling functions. An algorithm for construction of the modelling functions is suggested. This algorithm is based on the error functions expansion (ERFEX) of experimental concentration profiles. The high-accuracy analytical description of the profiles provided by ERFEX approximation allows a convenient extraction of the concentration dependence of diffusivity from experimental data and prediction of the diffusion process. Our analysis is exemplified by its employment to experimental results obtained for surface diffusion of lithium on the molybdenum (112) surface pre-covered with dysprosium. The ERFEX approximation can be directly extended to many other diffusion systems.Comment: 19 pages, 8 figure

Interaction of oxygen with submonolayer beryllium films on Mo(1 1 2)

Interaction of oxygen with the Mo(1 1 2) surface precovered by submonolayer beryllium films with various coverage degrees (θBe < 1) has been investigated by Auger electron spectroscopy, LEED and contact potential difference techniques. We have studied the effect of Be coverage degree on the oxygen adsorption kinetics, atomic structure and electronic properties of the O/Be/Mo(1 1 2) system. Contrary to the case of full-monolayer Be precoverage (θBe = 1), beryllium submonolayers can speed up the initial adsorption kinetics of oxygen by a factor of 10. The high sticking coefficient of oxygen on the Be/Mo(1 1 2) surface at θBe < 1 can be explained by the existence of areas on Mo(1 1 2) that are free of Be and provide fast oxygen adsorption, with O adatoms migrating further to the areas covered with Be (the spillover effect). The creation of beryllium oxide even on limited surface areas substantially decreases the oxygen sticking coefficient. This effect may originate from the surface deformation due to a structural misfit between the Be/O layer and the substrate. The coadsorbed Be/O layers with θBe < 1 modify the work function to values between those specific of the O/Be/Mo(1 1 2) systems with θBe = 0 and 1, which complies with the heterogeneous adlayer model