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SOLID STATE PHYSICS VOLUME 54 Founding Editors FREDERICK SEITZ DAVID TURNBULL SOLID STATE PHYSICS Advances in Research and Applications Editors HENRY EHRENREICH FRANS SPAEPEN Division of Engineering and Applied Sciences Harvard University Cambridge, Massachusetts VOLUME 54 ACADEMIC PRESS A Harcourt Science and Technology Company San Diego San Francisco New York Boston London Sydney Tokyo THIS BOOK IS PRINTED ON ACID-FREE PAPER. @ COPYRIGHT 02000 BY ACADEMICPRESS ALL RIGHTS RESERVED. NO PART OF THIS PUBLICATION MAY BE REPRODUCED OR TRANSMITTED IN ANY FORM OR BY ANY MEANS, ELECTRONIC OR MECHANICAL, INCLUDING PHOTOCOPY, RECORDING, OR ANY INFORMATION STORAGE AND RETRIEVAL SYSTEM, WITHOUT PERMISSION IN WRITING FROM THE PUBLISHER. THE APPEARANCE O F THE CODE AT THE BOlTOM O F THE FIRST PAGE O F A CHAPTER IN THIS BOOK INDICATES THE PUBLISHERS CONSENT THAT COPIES O F THE CHAPTER MAY BE MADE FOR PERSONAL OR INTERNAL USE, OR FOR THE PERSONAL OR INTERNAL USE O F SPECIFIC CLIENTS. THIS CONSENT IS GIVEN ON THE CONDITION, HOWEVER, THAT THE COPIER PAY THE STATED PER COPY FEE THROUGH THE COPYRIGHT CLEARANCE CENTER, INC. (222 ROSEWOOD DRIVE, DANVERS, MASSACHUSETTS 01923). FOR COPYING BEYOND THAT PERMIITED BY SECTIONS 107 OR 108 O F THE U.S. COPYRIGHT LAW THIS CONSENT DOES NOT EXTEND TO OTHER KINDS O F COPYING, SUCH AS COPYING FOR GENERAL DISTRIBUTION, FOR ADVERTISING OR PROMOTIONAL PURPOSES, FOR CREATING NEW COLLECTIVE WORKS, OR FOR RESALE. COPY FEES FOR PRE-2000 CHAPTERS ARE AS SHOWN ON THE CHAPTER TITLE PAGES; IF NO FEE CODE APPEARS ON THE CHAPTER TITLE PAGE, THE COPY FEE IS THE SAME AS FOR CURRENT CHAPTERS. 0081-1947/00 $30.00 ACADEMIC PRESS A Harcourt Science and Technology Company 525 B Street, Suite 1900, San Diego, CA 92101-4495, USA http://www.apnet.com Academic Press 24-28 Oval Road, London NWl 7DX, UK http://www.hbuk.co.uk/ap/ International Standard Serial Number: 0081-1947 International Standard Book Number: 0-12-607754-1 Printed in the United States of America 99 00 01 02 03 MB 9 8 7 6 5 4 3 2 1 Contents vii CONTRIBUTORS PREFACE. . xi QuasipartlcleCalculations in Solids WILFRIED G. AULBUR. LARSJONSSON. AND JOHNW. WILKINS I . Many-Body Effects in Computational Solid State Physics 2 12 111. GWA Calculations: Numerical Considerations . . . . . . . . . . . . . . . . . . . . 89 133 IV . Semiconductors and Insulators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . V . Metals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 172 VI . GWA Calculations and Optical Response . . . . . . . . . . . . . . . . . . . . . . . VII . Excited States within Density Functional Theory . . . . . . . . . . . . . . . . . . . 195 207 Appendix: Density Functional Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.. Quasiparticle Calculations in the GW Approximation . . . . . . . . . . . . . . . . The Surfactant Effect in Semiconductor Thin-Film Growth DANIELKANDELAND EFTHIMIOS KAXIRAS I. I1. 111. IV . V. Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Experimental Observations . . . . . . . . . . . . . . . . . . . . . . . Theoretical Models . . . . . . . . . . . . . . . . . . . . . . . . . . . The Diffusion-De-Exchange-Passivation Model . . . . . . . . . . . . . Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 219 223 233 242 260 The Two-Dlmenslonal Physics of Josephsondunction Arrays R . S. NEWROCK. C. J . LOBB.U . GEIGENMULLER AND M . OCTAVIO I . Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I1 . TheBasics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .