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By A. T. Loburets, N. B. Senenko, Yu. S. Vedula, A. G. Naumovets (auth.), Miroslav Kotrla, Nicolas I. Papanicolaou, Dimitri D. Vvedensky, Luc T. Wille (eds.)

ISBN-10: 1402006756

ISBN-13: 9781402006753

ISBN-10: 9401003912

ISBN-13: 9789401003919

Epitaxial development lies on the center of quite a lot of commercial and technological purposes. contemporary breakthroughs, experimental and theoretical, permit genuine atom-by-atom manipulation and an knowing of such strategies, commencing up a wholly new zone of unparalleled nanostructuring.

The contributions to Atomistic elements of Epitaxial Growth are divided into 5 major sections, taking the reader from the atomistic information of floor diffusion to the macroscopic description of epitaxial platforms. a number of the papers comprise big historical past fabric on theoretical and experimental tools, making the e-book compatible for either graduate scholars as a supplementary textual content in a direction on epitaxial phenomena, and for pros within the box.

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Q.. , ~ ,normal , ;I : § Q2 ~ :n , ;, , ~ II. ""'I ~, :r. , :, . 1 ..... ~................................... 2345678 o f(TIlz) Figure 5. 6% in the in-plane direction, while along the surface normal they are expanded by 5% with respect to Zbulk. We conclude that the presence of the adatom affects not only the neighboring relaxed positions of the surface atoms, but also the second-layer atoms. We also calculated the adatom phonon DOS at room temperature. In Fig. 5, we present the adatom phonon DOS for the in-plane (dashed line) and surface normal (solid line) directions.

E. E. (1996) Noiseactivated diffusion in the egg-carton potential, Phys. Rev. E 54, pp. 4708-4721. 10. A. (1940) Brownian motion in a field of force and the diffusion model of chemical reactions, Physica 7, pp. 284-304. 11. H. and Shugard, J. (1979) Molecular dynamics of surface diffusion. I. The motion of adatoms and clusters, J. Chern. Phys. 71, pp. D. K. (1982) Theoretical studies of surface diffusion: Selfdiffusion in the fcc (111) system, J. Chern. Phys. 77, pp. 479-483; De Lorenzi, G. and Jacucci, G.

The phonon density of states (DOS) of the Nb atoms is calculated by Fourier . transforming the velocity auto-correlation function [10]. VIBRATIONAL AND STRUCTURAL PROPERTIES OF NB (001) 45 3. 1. BULK PROPERTIES In order to validate the method for the Nb bcc metal, we calculated some static bulk properties such as the bulk modulus (ko), the thermal expansion coefficient (TEC) , the lattice constant (a) and the cohesive energy (CE). As shown in Table 1, we find generally good agreement with the available theoretical and experimental results.

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Atomistic Aspects of Epitaxial Growth by A. T. Loburets, N. B. Senenko, Yu. S. Vedula, A. G. Naumovets (auth.), Miroslav Kotrla, Nicolas I. Papanicolaou, Dimitri D. Vvedensky, Luc T. Wille (eds.)

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