Series: Cohesion and Structure

The new-found ability of atomistic calculations to provide hard numbers and insight into microscopic mechanisms is leading to increased contact and dialogue between physicists, chemists, materials scientists and engineers. This is occurring not only in novel fields such as superconducting ceramics, but also in well-established areas such as alloy and semiconductor design. As current materials are being pushed to their limits of performance, it is becoming apparent that a full understanding of the way atoms bind and pack together at the microscopic level will play a key role in future materials development. The aim of this open-ended series is, therefore, to examine the cohesion and structure of particular systems from both experimental and theoretical viewpoints. The dynamical interplay of theory and experiment within the series is represented by the hidden yin-yang motif of the series logo.
Book Series: Cohesion and Structure of Surfaces

Most recent volume

Volume 4. Cohesion and Structure of Surfaces

Published: 18th December 1995 Editors: K. Binder M. Bowker J.E. Inglesfield P.J. Rous
During the past fifteen years there has been a dramatic increase in the number of different surfaces whose structures have been determined experimentally. For example, whereas in 1979 there were only 25 recorded adsorption structures, to date there are more than 250. This volume is therefore a timely review of the state-of-the-art in this dynamic field.

Chapter one contains a compilation of the structural data base on surfaces within a series of tables that allows direct comparison of structural parameters for related systems. Experimental structural trends amongst both clean surfaces and adsorbate systems are highlighted and discussed.

The next chapter outlines the successes of local density functional theory in predicting the relaxations and reconstructions of clean metal and semiconductor surfaces, and the behaviour of adsorbates such as hydrogen, oxygen and alkali elements on metal surfaces, thereby explaining some of the experimental trends observed within the database. These ab initio density functional calculations are of ground state properties at the absolute zero of temperature.

Chapter three provides an introduction to finite temperature effects in a pedagogical review of current statistical mechanical treatments of phase transitions at surfaces, many of which display the prominent role of fluctuations or non-mean field behaviour.

The final chapter discusses the relationship of the reactivity of a surface to its morphology and composition, which is particularly relevant to a fundamental understanding of catalysis.

Additional volumes

Volume 2. The Structures of Binary Compounds

Published: 12th January 1990 Editor: F.R. de Boer Authors: J. Hafner F. Hulliger W.B. Jensen J.A. Majewski K. Mathis P. Villars P. Vogl