Theoretical Surface Science A Microscopic Perspective
Progress continues in the theoretical treatment of surfaces and processes on surfaces based on first-principles methods, i.e. without invoking any empirical parameters. In this book, the theoretical concepts and computational tools necessary and relevant
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Axel Groß
Theoretical Surface Science A Microscopic Perspective
With 125 Figures
123
Professor Dr. Axel Groß Institut f¨ur Theoretische Chemie Universit¨at Ulm Albert-Einstein-Allee 11 89069 Ulm, Germany E-mail: [email protected]
ISBN 978-3-540-68966-9
e-ISBN 978-3-540-68969-0
DOI 10.1007/978-3-540-68969-0
Library of Congress Control Number: 2009926008 © 2009 Springer-Verlag Berlin Heidelberg This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer. Violations are liable to prosecution under the German Copyright Law. The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Typesetting by the Author using a Springer LATEX macro package Cover design: eStudio Calamar Steinen SPIN 12244485 57/3180/SPi Printed on acid-free paper 987654321 springer.com
For Daniella, Noah and Samira
Preface
More than five years have passed since the first edition of this book was published. Surface science is still a very active field of research, and the fact that the Nobel Prize 2007 in chemistry was awarded to Gerhard Ertl “for his studies of chemical processes on solid surfaces” reflects the recognition that surface science has received in recent years. Nevertheless, the traditional surface science approach of studying low-index surfaces and simple adsorbates is no longer the focus topic of the research in this field. Instead, the interest has been shifted to the study of more and more complex structures that are also relevant for nanotechnology and even life sciences. The growing complexity of the studied systems makes a close collaboration between theory and experiment actually more essential in order to gain deeper insights into these systems. In fact, there has also been substantial progress in the theoretical treatment of structures and processes on surfaces. Therefore it was time to revise and update this textbook. First of all, in this second edition there is a new chapter on Surface Magnetism which reflects the growing interest in low-dimensional magnetic structures on surfaces for, e.g., the magnetic storage of data. In addition, all other chapters have been updated in order to take into account novel developments in theoretical surface science. This is reflected in the fact that there are now more than one hundred new references. For example, one of the “hot” topics in surface science is the structure and function of thin oxide films, so-called surface oxides; t
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