ORNL-6816 Distribution—UC-404 SOLID STATE DIVISION PROGRESS REPORT for Period Ending September 30,1993 J. B. Roberto, Director R. M. Moon, Associate Director L. A. Boatner, Section Head J. F. Cooke, Section Head B. C. Larson, Section Head H. A. Mook, Section Head D. M. Zehner, Section Head Edited by: P. H. Green L. W. Hinton Date Published-August 1994 Prepared for the Division of Materials Sciences Prepared by the OAK RIDGE NATIONAL LABORATORY Oak Ridge, Tennessee 37831 managed by MARTIN MARIETTA ENERGY SYSTEMS, INC. for the DEPARTMENT OF ENERGY UNDER CONTRACT NO. DE-AC05-84OR21400 y 0!?ff»BtITIOK OF THIS DOCUMENT IS UNL!IV!!tt6 ^^MWWCMZ'M§' Reports previously issued in this series are as follows: ORNL-1095 Period Ending April 30,1951 ORNL-1128 Period Ending July 31,1951 ORNL-1214 Period Ending October 31,1951 ORNL-1261 Period Ending January 31,1952 ORNL-1301 Period Ending May 10,1952 ORNL-1359 Period Ending August 10,1952 ORNL-1429 Period Ending November 10,1952 ORNL-1506 Period Ending February 10,1953 ORNL-1606 Period Ending August 30,1953 ORNL-1677 Period Ending February 28,1954 ORNL-1762 Period Ending August 31,1954 ORNL-1851 Period Ending February 28,1955 ORNL-1852 Period Ending February 28,1955 ORNL-1944 Period Ending August 31,1955 ORNL-1945 Period Ending August 31,1955 ORNL-2051 Period Ending February 29,1956 ORNL-2052 Period Ending February 29,1956 ORNL-2188 Period Ending August 31,1956 ORNL-2189 Period Ending August 31,1956 ORNL-2413 Period Ending August 31,1957 ORNL-2414 Period Ending August 31,1957 ORNL-2614 Period Ending August 31,1958 ORNL-2829 Period Ending August 31,1959 ORNL-3017 Period Ending August 31,1960 ORNL-3213 Period Ending August 31,1961 ORNL-3364 Period Ending August 31,1962 ORNL-3480 Period Ending May 31,1963 ORNL-3676 Period Ending May 31,1964 ORNL-3841 Period Ending May 31,1965 ORNL-3935 Period Ending December 31,1965 ORNL-4098 Period Ending December 31,1966 ORNL-4250 Period Ending December 31,1967 ORNL-4408 Period Ending December 31,1968 ORNL-4526 Period Ending December 31,1969 ORNL-4669 Period Ending December 31,1970 ORNL-4779 Period Ending December 31,1971 ORNL-4861 Period Ending December 31,1972 ORNL-4952 Period Ending December 31,1973 ORNL-5028 Period Ending December 31,1974 ORNL-5135 Period Ending December 31,1975 ORNL-5328 Period Ending April 30,1977 ORNL-5486 Period Ending September 30,1978 ORNL-5640 Period Ending February 29,1980 ORNL-5850 Period Ending September 30,1981 ORNL-5975 Period Ending March 31,1983 ORNL-6128 Period Ending September 30,1984 ORNL-6306 Period Ending March 31,1986 ORNL-6453 Period Ending September 30,1987 ORNL-6571 Period Ending March 31,1989 ORNL-6664 Period Ending September 30,1990 ORNL-6722 Period Ending March 31,1992 11 DISCLAIMER This report was .prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, make any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. Contents ACRONYMS xix INTRODUCTION xxi 1. Theoretical Solid State Physics SUPERCONDUCTIVITY Energy Gap Structure of Layered Superconductors—S. H. Liu and R. A. Klemm 2 High-Tc Superconducting Superlattices—R. F. Wood 3 Spin-Polaron Theory of High-Tc Superconductivity—R. F. Wood 3 Electron-Phonon Interaction Near Van Hove Singularities—G.D. Mahan 4 Resistivity and Superconductivity from Anharmonic Phonons—G. D. Mahan and J. O.Sofo 5 Frustration-Induced Disorder of Flux Lines in Layered Superconductors—G. I. Watson and G. S. Canright 5 NUMERICAL SIMULATION AND BAND STRUCTURE A New Extended Point Defect Structure in Diamond Cubic Crystals—Mark Mostoller, Theodore Kaplan, and M. F. Chisholm 6 A New Empirical Potential for Si and Ge—Mark Mostoller, Benjamin Liu, and Theodore Kaplan 8 Numerical Simulation of He+ and Li+ Collisions with Cso—T. Kaplan, M. Rasolt, M. Karimi, and Mark Mostoller 8 The Statistics of Sputtering—Mark T. Robinson 10 Simulation of Plasma-Based Materials Processing Techniques—C.-L. Liu, D. B. Geohegan, J.-N. G. Leboeuf, and R. F. Wood 10 iii IV Quantum Monte Carlo with Complex Weights—Lizeng Zhang, G. S. Canright, and T. Barnes 11 Large-Scale ab Initio Study of the Binding and Diffusion of a Ge Adatom on the Si(100) Surface—V. Milman, D. E. Jesson, S. J. Pennycook, M. C. Payne, M. H. Lee, and I. Stich 12 Hydration of Mg-Cordierite Investigated by ab Initio Total Energy Calculations— B.Winkler, V. Milman, and M.C.Payne 14 MAGNETIC PROPERTIES Magnetic Structure and Spin Dynamics of Chromium Alloys—R. S. Fishman and S. H. Liu 15 Role of Electronic Screening in Itinerant-Electron Magnets—/. F. Cooke, }. M. Bass, and J. A. Blackman 15 Electronic Theory and the Magnetic Moment of Itinerant-Electron Systems—/. F. Cooke 17 Longitudinal and Transverse Spin Dynamics in the Sinusoidal Phase of Erbium and Thulium—S. H. Liu and }. F. Cooke 17 Spontaneous Magnetization of Anyons with Long-Range Repulsion—Jaichul Yi and G. S. Canright 18 Magnetoplasma Edge Modes of Two-Dimensional Electron Gas Systems—/. J. Quinn and X. Xia 19 Numerical Studies of Two-Dimensional Electron-Hole Systems in a Strong Magnetic Field—/. /. Quinn and Ximing Chen 19 MANY-BODY THEORY, PHOTOVOLTAICS, AND SUCH Advanced Deposition and Substrate Technologies for Thin-Film Polycrystalline Silicon Photovoltaics—R. F. Wood, G. E. Jellison, Jr., D. Eres, S. M. Gorbatkin, R. D. Westbrook, A. }. Moorhead, and P. A. Menchhofer 20 Fractal Vertex for Electron-Electron Interactions—G. D. Mahan 21 Restricted Applicability of Onsager's Reciprocity Relations to Models of Interface Motion— Theodore Kaplan, M. }. Aziz, and L. J. Gray 21 Screening and Mobility of n-Silicon—B. A. Sanborn, P. B. Allen, and G. D. Mahan 22 Nonlinear Polarizability of Correlated One-Dimensional Systems—A. G. Rojo and G. D. Mahan 23 Mean-Field Theory of Elastic Dipoles on a FCC Lattice—R. S. Pfeiffer and G. D. Mahan 23 V 2. Neutron Scattering SMALL-ANGLE SCATTERING AND NEUTRON REFLECTOMETRY Compatibility of Blends of Polyethylene in the Melt and Solid States by Small-Angle Neutron Scattering (SANS)—G. D. Wignall, R. G. Alamo, L. Mandelkern, J. D. Londono, and F. C. Stehling 26 Miscibility and Cocrystallization in Homopolymer Segmented Block Copolymer Blends— K. P. Gallagher, X. Zhang, J. P. Runt, G. Huynh-ba, and J. S. Lin 27 Statistical Segment Length Mismatch on Polymer Blend Miscibility—G. D. Wignall, M. D. Gehlsen, and F. S. Bates 28 The Morphology of Blends of Linear and Branched Polyethylenes in Solid State by Small-Angle Neutron Scattering (SANS)—G. D. Wignall, R. G. Alamo, L. Mandelkern, J. D. Londono, and F. C. Stehling 29 Microdomain Contraction in Microphase-Separated Multiblock Copolymers— S. D. Smith, R. J. Spontak, M. M. Satkowski, A. Ashraf, and J. S. Lin 30 Temperature Coefficients for the Chain Dimensions of Polystyrene and Polymethylmethacrylate—G. D. Wignall, A. J. Boothroyd, and A. R. Rennie 30 Structural Characterization of C6o and C70 Fullerenes by Small-Angle Neutron Scattering (SANS)—K. A. Affholter, G. D. Wignall, S. J. Henderson, G. J. Bunick, R. E. Haufler, and R. N. Compton 31 Evaluation of Precipitate Evolution in 6XXX Alloys Using Small-Angle Neutron Scattering Techniques—C. W. Bartges and Steve Spooner 32 Matrix Precipitate Evolution During Decomposition of Aluminum Alloy 7075— C. W. Bartges, L. H. Edelson, S. Y. Tzeng, and J. S. Lin 33 Characterization of Porosity in Ceramic Materials by Small-Angle Scattering— D. W. Schaefer, R. K. Brow, B. J. Oliver, T. Rieker, G. Beaucage, L. Hrubesh, and J. S. Lin 33 Shear-Induced "Crystallization" of Rodlike Micelles—W. A. Hamilton, P. D. Butler, S. M. Baker, G. S. Smith, J. B. Hayter, L. f. Magid, and R. Pynn 34 NEUTRON DIFFRACTION Neutron Scattering Measurements of Residual Stress in Austenitic and Ferritic Plates— Steve Spooner, C. R. Hubbard, Xun-Li Wang, and S. A. David 35 VI Weld Metal Chemistry Measured With Neutron Powder Diffraction—S. Spooner and J. A. Fernandez-Baca 36 Martensitic Phase Transition in Ino.77Tlo.23—/• L. Robertson and H. G. Smith 37 Neutron Scattering Study of the t -» m Phase Transition in Al2O3-Zr02 (12 mol % Ce02) Ceramic Composites—Xun-Li Wang, J. A. Fernandez-Baca, C. R. Hubbard, K. B. Alexander, and P. F. Becher 39 S^IrCXi: A Two-Dimensional Spin-1/2 Heisenberg Antiferromagnet—M. K. Crawford, M. A. Subramanian, R. L. Harlow, J. A. Fernandez-Baca, Z. R. Wang, and D. C. Johnston 39 Spin Density Waves in Dilute CuMn Alloys—/. W. Cable and Y. Tsunoda 40 Structure of the Modulated Magnetic Phase of M^Sn—J. W. Cable, N. Wakabayashi, and P. Radhakrishna 41 Neutron Diffraction Study of the Magnetic Ordering of BaCu02+;t—Xun-Li Wang, J. A. Fernandez-Baca, Z. R. Wang, D. Vaknin, and D. C. Johnston 42 Crystal Structure and Superconductivity of La2-xBaxCu04—S.