Phase Transitions and Self-Organization in Electronic and Molecular Networks

Transcription

1 Phase Transitions and Self-Organization in Electronic and Molecular Networks

2 FUNDAMENTAL MATERIALS RESEARCH Series Editor: M. F. Thorpe, Michigan State University East Lansing, Michigan ACCESS IN NANOPOROUS MATERIALS Edited by Thomas J. Pinnavaia and M. F. Thorpe DYNAMICS OF CRYSTAL SURFACES AND INTERFACES Edited by P. M. Duxbury and T. J. Pence ELECTRONIC PROPERTIES OF SOLIDS USING CLUSTER METHODS Edited by T. A. Kaplan and S. D. Mahanti LOCAL STRUCTURE FROM DIFFRACTION Edited by S. J. L. Billinge and M. F. Thorpe PHASE TRANSITIONS AND SELF-ORGANIZATION IN ELECTRONIC AND MOLECULAR NETWORKS Edited by J. C. Phillips and M. F. Thorpe PHYSICS OF MANGANITES Edited by T. A. Kaplan and S. D. Mahanti RIGIDITY THEORY AND APPLICATIONS Edited by M. F. Thorpe and P. M. Duxbury SCIENCE AND APPLICATION OF NANOTUBES Edited by D. Tománek and R. J. Enbody A Continuation Order Plan is available for this series. A continuation order will bring delivery of each new volume immediately upon publication. Volumes are billed only upon actual shipment. For further information please contact the publisher.

3 Phase Transitions and Self-Organization in Electronic and Molecular Networks Edited by J. C. Phillips Lucent Technologies Bell Labs Innovations Murray Hill, New Jersey and M. F. Thorpe Michigan State University East Lansing, Michigan KLUWER ACADEMIC PUBLISHERS NEW YORK, BOSTON, DORDRECHT, LONDON, MOSCOW

4 ebook ISBN: Print ISBN: X 2002 Kluwer Academic Publishers New York, Boston, Dordrecht, London, Moscow Print 2001 Kluwer Academic / Plenum Publishers New York All rights reserved No part of this ebook may be reproduced or transmitted in any form or by any means, electronic, mechanical, recording, or otherwise, without written consent from the Publisher Created in the United States of America Visit Kluwer Online at: and Kluwer's ebookstore at:

5 SERIES PREFACE This series of books, which is published at the rate of about one per year, addresses fundamental problems in materials science. The contents cover a broad range of topics from small clusters of atoms to engineering materials and involve chemistry, physics, materials science, and engineering, with length scales ranging from Ångstroms up to millimeters. The emphasis is on basic science rather than on applications. Each book focuses on a single area of current interest and brings together leading experts to give an up-to-date discussion of their work and the work of others. Each article contains enough references that the interested reader can access the relevant literature. Thanks are given to the Center for Fundamental Materials Research at Michigan State University for supporting this series. M.F. Thorpe, Series Editor thorpe@pa.msu.edu East Lansing, Michigan, September 2000 v

6 PREFACE The problem of phase transitions in disordered materials is quite old, but until recently it has seemed too complex a subject for formal study. The advent of computers has changed matters in two important ways. First, it has become possible to implement formal methods for microscopic study of phase transitions in ordered materials, even in the quantum limit, in great detail. This work has been so successful that few qualitative mysteries remain, and many microscopic details have been measured experimentally and derived theoretically from first principles. The second radical change brought about by computers is that scientists have been forced to recognize that even today phase transitions in disordered materials are very poorly understood. Apart from the inherent statistical problems raised by disorder, it is becoming clear that new fundamental concepts are needed to explain qualitatively new phenomena that arise in disordered materials that were absent in ordered crystalline materials, or even in such materials with disordered sublattices. This workshop addresses the need for fundamentally new concepts in three areas of physical science. The first is network glasses, simple mechanical systems in which important new phenomena (the intermediate phases, the reversibility window) have been discovered as a result of exploring stiffness transitions both experimentally and in numerical simulations made possible by new computer algorithms. The considerable progress made here is most encouraging, but surprisingly it has turned out that these new mechanical phenomena are closely paralleled by new electronic phenomena. These are discussed for the second area, the metal-insulator transition in semiconductor impurity bands, in which an intermediate phase has also been identified. The third area is (mostly cuprate) perovskites, where an intermediate phase occurs which can have superconductive transition temperatures well above 100K. It appears very likely that the electronic intermediate phases exist because of disorder, and that the electronic phase diagrams closely parallel the mechanical phase diagrams of network glasses. On a microscopic level, minimization of the free energy of a disordered system at moderate temperatures, followed by some kind of (mild) quenching, can produce selforganization. There are many indications of this in network glasses, but of course life itself is self-organized. Proteins can be described as self-organized disordered networks, and they are discussed briefly here, and in a special issue of Journal of Molecular Graphics and Modelling (edited by L.A. Kuhn and M.F. Thorpe, to appear early 2001). It turns out that several constraint-based concepts that have been developed for network glasses apply equally well to the apparently unrelated subject of protein folding. This focused workshop was held at Hughes Hall, Cambridge, England, July 10-14, We are grateful to Dr. Martin Dove for assistance with local arrangements, and Ms. Janet King and Mr. Mykyta Chubynsky for extensive editorial assistance. J.C. Phillips M.F. Thorpe East Lansing, Michigan, September 2000 vii

7 CONTENTS I. Some Mathematics Mathematical Principles of Intermediate Phases in Disordered Systems... 1 J.C. Phillips Reduced Density Matrices and Correlation Matrix... A. John Coleman The Sixteen-Percent Solution: Critical Volume Fraction for Percolation Richard Zallen The Intermediate Phase and Self-Organization in Network Glasses M.F. Thorpe and M.V. Chubynsky 23 II. Glasses and Supercooled Liquids Evidence for the Intermediate Phase in Chalcogenide Glasses P. Boolchand, W.J. Bresser, D.G. Georgiev, Y. Wang, and J. Wells Thermal Relaxation and Criticality of the Stiffness Transition Y. Wang, T. Nakaoka, and K. Murase Solidity of Viscous Liquids... J.C. Dyre Non-Ergodic Dynamics in Supercooled Liquids... M. Dzugutov, S. Simdyankin, and F. Zetterling Network Stiffening and Chemical Ordering in Chalcogenide Glasses: Compositional Trends of T g in Relation to Structural Information from Solid and Liquid State NMR... Carsten Rosenhahn, Sophia Hayes, Gunther Brunklaus, and Hellmut Eckert ix

8 Glass Transition Temperature Variation as a Probe for Network Connectivity... M. Micoulaut Floppy Modes Effects in the Thermodynamical Properties of Chalcogenide Glasses... Gerardo G. Naumis The Dalton-Maxwell-Pauling Recipe for Window Glass... Richard Kerner 171 Local Bonding, Phase Stability and Interface Properties of Replacement Gate Dielectrics, Including Silicon Oxynitride Alloys and Nitrides, and Film Amphoteric Elemental Oxides and Silicates... G. Lucovsky Experimental Methods for Local Structure Determination on the Atomic Scale... E.A. Stern Zeolite Instability and Collapse... G.N. Greaves 225 III. Metal-Insulator Transitions Thermodynamics and Transport Properties of Interacting Systems with Localized Electrons... A.L. Efros The Metal-Insulator Transition in Doped Semiconductors: Transport Properties and Critical Behavior... Theodore G. Castner Metal-Insulator Transition in Homogeneously Doped Germanium... Michio Watanabe IV. High Temperature Superconductors Experimental Evidence for Ferroelastic Nanodomains in HTSC Cuprates and Related Oxides... J. Jung Role of Sr Dopants in the Inhomogeneous Ground State of La 2-x Sr x CuO D. Haskel, E.A. Stern, and F. Dogan 311 x

9 Universal Phase Diagrams and Ideal High Temperature Superconductors: J.L. Wagner, T.M. Clemens, D.C. Mathew, O. Chmaissem B. Dabrowski, J.D. Jorgensen, and D.G. Hinks Coexistence of Superconductivity and Weak Ferromagnetism in Eu 1.5 Ce 0.5 RuSr 2 Cu 2 O I. Felner Quantum Percolation in High Tc Superconductors... V. Dallacasa 357 Superstripes: Self Organization of Quantum Wires in High T c Superconductors... A. Bianconi, D. DiCastro, N.L. Saini, and G. Bianconi 375 Electron Strings in Oxides... F.V. Kusmartsev 389 High-Temperature Superconductivity is Charge-Reservoir Superconductivity John D. Dow, Howard A. Blackstead, and Dale R. Harshman Electronic Inhomogeneities in High-T c Superconductors Observed by NMR J. Haase, C.P. Slichter, R. Stern, C.T. Milling, and D.G. Hinks Tailoring the Properties of High-T c and Related Oxides: From Fundamentals to Gap Nanoengineering... Davor Pavuna 431 V. Self-Organization in Proteins Designing Protein Structures... Hao Li, Chao Tang, and Ned S. Wingreen 441 List of Participants Index xi