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Defects in Materials

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Cambridge University Press978-1-107-40997-2 - Materials Research Society Symposium Proceedings: Volume 209:Defects in MaterialsEditors: Paul D. Bristowe, J. Ernest Epperson, Joseph E. Griffith and Zuzanna Liliental-WeberFrontmatterMore information

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MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS VOLUME 209

Defects in Materials

Symposium held November 26-29, 1990, Boston,Massachusetts, U.S.A.

EDITORS:

Paul D. BristoweMassachusetts Institute of Technology, Cambridge, Massachusetts, U.S.A.

J. Ernest EppersonArgonne National Laboratory, Argonne, Illinois, U.S.A.

Joseph E. GriffithAT&T Bell Laboratories, Murray Hill, New Jersey, U.S.A.

Zuzanna Liliental-WeberLawrence-Berkeley Laboratories, Berkeley, California, U.S.A.

IMIRIS1 MATERIALS RESEARCH SOCIETY

Pittsburgh, Pennsylvania






cambridge university press Cambridge, New York, Melbourne, Madrid, Cape Town, Singapore, São Paulo, Delhi, Mexico City

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© Materials Research Society 1991

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This work was supported by the Air Force Office of Scientific Research, Air Force Systems Command, USAF, under Grant Number AFOSR 91-0088.






Contents

PREFACE xvii

MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS xviii

PART I: DEFECTS IN METALS

•DEFECTS IN MATERIALS: THEIR CHARACTERIZATION ANDSIMULATION 3

Colin G. Windsor

*ON THE NATURE OF GRAIN BOUNDARY STRUCTURES IN NANOPHASEMATERIALS 15

R.W. Siegel and G.J. Thomas

ALTERNATIVE LENGTH SCALES FOR POLYCRYSTALLINE MATERIALS 27C.S. Nichols, R.F. Cook, D.R. Clarke, andD.A. Smith

EFFECT OF GRAIN BOUNDARY STRUCTURE ON GRAIN BOUNDARYDIFFUSIVITIES IN THE Au/Ag SYSTEM 3 3

Qing Ma and R.W. Balluffi

HREM INVESTIGATION OF THE STRUCTURE OF THE S5(310)/[001]SYMMETRIC TILT GRAIN BOUNDARY IN Nb 3 9

Wayne E. King, G.H. Campbell, A. Coombs, M.J. Mills,and M. Ruhle

DIFFRACTION EFFECTS FROM [111] TWIST BOUNDARIESIN GOLD 47

I. Majid, D. Wang, and P.D. Bristowe

EFFECT OF HYDROGEN ON THE ELECTRONIC STRUCTURE OF AGRAIN BOUNDARY IN IRON 53

Genrich L. Krasko, Ralph J. Harrison, andG.B. Olson

THE ACCOMMODATION OF LATTICE MISMATCH ON THE (111)INTERPHASE BOUNDARY PLANE IN FCC METALS 59

P. Gumbsch and H.F. Fischmeister

TILT BOUNDARIES IN BCC METALS: COMPARISON OF RESULTSUSING DIFFERENT INTERATOMIC INTERACTIONS 65

S.M. Foiles, M.S. Daw, and R.B. Phillips

ANTIPHASE BOUNDARY CALCULATIONS FOR THE Ll 2 STRUCTUREUSING AN EMBEDDED ATOM METHOD MODEL 71

Jeanne R. Brown and Robert A. Johnson

X-RAY SCATTERING FROM HIGHLY DISTORTED LATTICESUNDERGOING PHASE SEPARATION 77

Satish I. Rao, C.H. Wu, and C.R. Houska

*Invited Paper






MICROSTRUCTURAL ANALYSIS OF HEXAGONAL CLOSE-PACKEDMETALS USING X-RAY DIFFRACTION AND TRANSMISSIONELECTRON MICROSCOPY 83

M. Griffiths and J.E. Winegar

METASTABLE PHASES AND DEFECT MICROSTRUCTURES INMELT-SPUN RIBBONS OF Nb3Al

M. Aindow, J. Shyue, T.A. Gaspar, and H.L. Fraser

DEFECTS, MICROSTRUCTURE AND PROPERTIES OF THEINDUSTRIAL 35 CrMoV STEEL 95

Wu Wangzi and Qiao Guiwen

PART II: THEORY AND SIMULATION OF DEFECTS

*THE ENCHANTING PROPERTIES OF OXYGEN ATOMS IN SILICON 103M. Needels, J.D. Joannopoulos, Y. Bar-Yam,S.T. Pantelides, and R.H. Wolfe

PECULIAR DOPING BEHAVIOR OF Si:Be 119Eugen Tarnow, S.B. Zhang, K.J. Chang, andD.J. Chadi

MOLECULAR DYNAMICS STUDIES OF DEFECTS IN Si 12 5M.S. Duesbery, D.J. Michel, Efthimios Kaxiras,and B. Joos

THE ELECTRONIC STRUCTURE OF GRAIN BOUNDARIES IN Nb 131Erik C. Sowa, A. Gonis, and X.-G. Zhang

*MOLECULAR DYNAMICS SIMULATIONS OF STEPS AT CRYSTALSURFACES 135

G.H. Giliner and A.F. Bakker

DEFECT GENERATION AND MOTION IN POLYETHYLENE-LIKECRYSTALS, ANALYZED BY SIMULATION WITH SUPERCOMPUTERS 147

Bernhard Wunderlich, A. Xenopoulos, D.W. Noid,and B.G. Sumpter

A MORPHOLOGICAL APPROACH TO CONSTRUCTING INTERATOMICPOTENTIALS: AN APPLICATION TO SILICON 159

P. Dallot and P.D. Bristowe

SEMIEMPIRICAL ANGULAR-FORCE METHOD FOR BCC TRANSITIONMETALS 165

A.E. Carlsson

ANISOTROPIC DISPLACEMENT THRESHOLD ENERGIES IN SILICONBY MOLECULAR DYNAMICS SIMULATIONS 171

LeAnn A. Miller, David K. Brice, Anil K. Prinja,and S. Thomas Picraux

THE SURFACE GREEN'S FUNCTION IN SEMICONDUCTORS BY THETIGHT-BINDING LINEAR MUFFIN-TIN ORBITAL METHOD 177

M. Sob and J. Kudrnovsky

*Invited Paper






A CLUSTER CALCULATION OF B AND P IMPURITIES INAMORPHOUS SILICON 183

L. Enrique Sansores, R.M. Valladares,J.A. Cogordan, and A.A. Valladares

FIRST-PRINCIPLES STUDY OF PHOTOEXCITED DEFECTS INPOLYSILANE CHAINS 189

J.W. Mintmire, R.C. Mowrey, D.W. Brenner,B.I. Dunlap, and C.T. White

CONTRIBUTIONS OF CONFORMATIONAL AND STRUCTURAL DEFECTSTO THE HYPERPOLARIZABILITIES OF POLYMERS 195

Steven M. Risser and Kim F. Ferris

SIMULATION OF THE CRYSTAL-TO-AMORPHOUS TRANSFORMATIONIN IRRADIATED QUARTZ 201

Uma Jain, Adam C. Powell, and Linn W. Hobbs

CALCULATION OF DEFECT PROPERTIES OF NiTi AND FeTi 207Russell T. Lutton, Michael J. Sabochick,and Nghi Q. Lam

DISLOCATION MOBILITIES IN NiAl FROM MOLECULAR DYNAMICSSIMULATIONS 213

A. Moncevicz, P.C. Clapp, and J.A. Rifkin

THE FREE ENERGY SIMULATION APPROACH TO GRAIN BOUNDARYSEGREGATION IN Cu-Ni 219

H.Y. Wang, R. Najafabadi, D.J. Srolovitz, andR. LeSar

ATOMIC-SCALE SIMULATION OF ADHESION BETWEEN METALLICSURFACES 225

Paul A. Taylor

CALCULATION OF DIFFRACTION PATTERNS ASSOCIATED WITHELECTRON IRRADIATION INDUCED AMORPHIZATION OF CuTi 231

R. Devanathan, N.Q. Lam, M.J. Sabochick,P. Okamoto, and M. Meshii

HOT ELECTRONS RELAXATION 2 39A.M. Mazzone

VIBRATIONAL FREQUENCIES FOR MODEL SILICATES:EXTENSIONS BEYOND MOLECULAR PROPERTIES 245

Kim F. Ferris and Steven M. Risser

A SIMPLE STATISTICAL THEORY FOR GRAIN GROWTH INMATERIALS 251

P. Mulheran and J.H. Harding

SIMULATING VACANCY, IMPURITY AND ELECTRONIC DEFECTSTATES IN MgO, LiCl AND La2Cu04 USING QUANTUM CLUSTERAND CLASSICAL LATTICE SIMULATION TECHNIQUES IN ACONSISTENT MANNER 257

Robin W. Grimes, C.R.A. Catlow, A.L. Shluger,R. Pandey, R. Baetzold, and A.H. Harker






FIRST-PRINCIPLES STUDY OF SOLITON HYPERFINEINTERACTIONS IN POLYACETYLENE 263

C.T. White, F.W. Kutzler, J.W. Mintmire, andM.R. Cook

PART III: POINT AND LINE DEFECTS

*X-RAY CHARACTERIZATION OF DEFECTS IN IRRADIATED IRON 271J. Peisl, H. Franz, A. Schmalzbauer, andG. Wallner

IN-SITU NMR INVESTIGATION OF DYNAMICAL BEHAVIOR OFPOINT AND LINE DEFECTS DURING DEFORMATION OF NaCl 283

K. Detemple, O. Kanert, K. Linga Murty, andJ.Th.M. De Hosson

ELECTRON CHANNELLING CONTRAST IMAGING (ECCI) OFDISLOCATIONS IN BULK SPECIMENS 289

J.T. Czernuszka, N.J. Long, E.D. Boyes, andP.B. Hirsch

DIFFUSION MECHANISMS IN BCC-Zr: A MOLECULAR DYNAMICSAPPROACH 293

F. Willaime and C. Massobrio

DEFECT DYNAMICS OF A NEMATIC POLYMER IN A MAGNETICFIELD 299

Alejandro D. Rey

LONGITUDINAL RELAXATION OF A THERMALLY STRESSED FIBERBY PRISMATIC DISLOCATION PUNCHING 305

David C. Dunand and Andreas Mortensen

DISLOCATION DYNAMICS IN B.C.C. METALS: A NUCLEARMAGNETIC RESONANCE AND TRANSMISSION ELECTRONMICROSCOPIC STUDY 311

J.Th.M. De Hosson and O. Kanert

EFFECT OF PARTICLE SIZE ON THE PLASTIC ZONE FORMATIONIN FRONT OF MODE I CRACK IN ABS POLYMERS 317

Beta Y. Ni and J.C.M. Li

HETEROCYCLIZATION OF ACETYLENE TO THIOPHENE AT DEFECTSON THE Pd(lll) SURFACE 323

Andrew J. Gellman

WEAK LOCALIZATION EFFECTS IN FLUORINE-INTERCALATEDGRAPHITE FIBERS 329

S.L. di Vittorio, M.S. Dresselhaus, V. Bayot,L. Piraux, J-P. Issi, M. Endo, and T. Nakajima

CHARACTERIZATION OF ACTIVATED CARBON FIBERS 3 35A.W.P. Fung, A.M. Rao, K. Kuriyama,M.S. Dresselhaus, G. Dresselhaus, and M. Endo

PHOTOCONDUCTIVITY OF HIGHLY DISORDERED CARBON FIBERS 341Kazuyoshi Kuriyama and Mildred S. Dresselhaus

*Invited Paper

viii






RAMAN STUDIES OF FLUORINE-INTERCALATED CARBON FIBERS 347A.M. Rao, A.W.P. Fung, M.S. Dresselhaus,G. Dresselhaus, M. Endo, and T. Nakajima

VACANCY PROPERTIES IN ORDERED NiGa AND NiAl 353S.M. Kim

DISLOCATION DENSITY DETERMINATION IN POLYCRYSTALLINECOPPER BY NEUTRON DIFFRACTION ON EXTINCTION MEASUREMENTS 3 59

J. Palacios Gomez

PART IV: DEFECTS IN SEMICONDUCTORS

*THE DX CENTER: HOW COMPLICATED CAN A POINT DEFECT BE? 367Thomas N. Theis

PROPERTIES OF Cu IN GaAs 379Rosa Leon, Maria Kaminska, Kin Man Yu, andEicke Weber

EXTRINSIC GETTERING OF COPPER IN SILICON: HETEROGENEOUSPRECIPITATION ON NEAR-SURFACE DISLOCATIONS 385

P.M. Rice, M.J. Kim, and R.W. Carpenter

THEORY OF HYDROGEN COMPLEXES IN Si 391S.B. Zhang and W.B. Jackson

IMPURITY-DEFECT COMPLEXES IN HYDROGENATED AMORPHOUSSILICON 397

Lin H. Yang, C.Y. Fong, and Carol S. Nichols

SPECTROSCOPIC STUDY OF HYDROGEN INDUCED DEFECTIN a-Ge:H 403

Shu Jin and Lothar Ley

THE PRECIPITATION OF NICKEL AND COPPER AT GRAINBOUNDARIES IN SILICON 409

H.J. Moller, U. Jendrich, L. Huang, andA. Foitzik

MAJORITY CARRIER TRANSPORT ACROSS SEMICONDUCTORGRAIN BOUNDARIES 415

S.F. Nelson, P.V. Evans, S.L. Sass, andD.A. Smith

ON THE DISTRIBUTION MECHANISM OF VOIDS INSi-IMPLANTED GaAs 421

Samuel Chen, S.-Tong Lee, G. Braunstein,K.Y. Ko, and T.Y. Tan

ANALYSIS OF ANOMALOUS PEAK HEIGHTS IN DLTS OFMBE-GROWN ALUMINUM GALLIUM ARSENIDE 427

W. Lim, L.P. Trombetta, and Keith Jamison

FREQUENCY DEPENDENCE ON HOPPING CONDUCTANCE INCRYSTALLINE ELECTRON IRRADIATED SEMICONDUCTORS 43 3

S.D. Kouimtzi

*Invited Paper






EVIDENCE OF DEFECT LEVELS IN p AND n-TYPE ELECTRONIRRADIATED Si 439

S.D. Kouimtzi

OPTICAL INVESTIGATIONS ON DONOR DOPED CdTe 445W. Stadler, B.K. Meyer, D.M. Hofmann,D. Sinerius, and K.W. Benz

PHONONS IN MIXED II-VI COMPOUND SEMICONDUCTORS 451D.N. Talwar, Alan C. Coleman, P.M. Amirtharaj,S. Perkowitz, Z.C. Feng, and P. Becla

RAMAN STUDIES OF ZnSe LATTICE DAMAGE AND RECOVERY DUETO N IMPLANTATION AND ANNEALING 457

A. Deneuville, P. Ayyub, C.H. Park, T. Anderson,P. Lowen, K.S. Jones, and P.H. Holloway

EFFECT OF THE EXTINCTION DISTANCE IN X-RAY ROCKINGCURVE ANALYSES OF II-VI COMPOUNDS 463

P.D. Moran and R.J. Matyi

PAC STUDIES OF DEFECTS IN AgCl AND II-VI COMPOUNDS 469J.C. Austin, M.L. Swanson, W.C. Hughes, andS.S. Choi

X-RAY TOPOGRAPHY STUDIES OF OXYGEN PRECIPITATES INMCZ SILICON 475

Anthony J. Holland, G. Stephan Green,Brian K. Tanner, and Mai Zhenhong

DAMAGE FREEZE-IN PHENOMENA AS A FUNCTION OF DOPANTIMPLANT TYPE IN GERMANIUM-RICH REGIONS IN SILICON 481

Sheldon Aronowitz, Courtney Hart, and Sharon Myers

INFLUENCE OF CURRENT INJECTION INTO a-SiN:H FILMSON CHARGE TRAPPING DEFECTS 487

Tomoki Oku, Kiyoshi Kawabata, Yukio Higaki,Teruhito Matsui, Hirozo Takano, and Mutsuyuki Otsubo

ANALYSIS FOR THE CHARACTERIZATION OF OXYGEN IMPLANTEDSILICON (SIMOX) BY SPECTROSCOPIC ELLIPSOMETRY 493

M.G. Doss, D. Chandler-Horowitz, J.F. Marchiando,S. Krause, and S. Seraphin

ELECTRICAL PROPERTIES OF S+ IMPLANTATION IN SI GaAs 499Guanqun Xia, Anmin Guan, Haiyang Geng,and Weiyuan Wang

STRUCTURAL DEFECTS IN LASER ANNEALED ARSENIC IMPLANTEDSILICON 505

J.M. Tonnerre, M. Matsuura, G.S. Cargill III, andL.W. Hobbs

SYNCHROTRON TOPOGRAPHIC STUDIES OF THE INFLUENCE OFRAPID THERMAL PROCESSING ON DEFECT STRUCTURES IN SINGLECRYSTAL SILICON 511

Michael Dudley, Franklin F.Y. Wang, Thomas Fanning,Georgios Tolis, Jun Wu, and David T. Hodul






POINT DEFECT INJECTION AND ENHANCED Sb DIFFUSION IN SiDURING Co-Si AND Ti-Si REACTIONS 517

J.W. Honeycutt and G.A. Rozgonyi

CONTACTLESS DEEP LEVEL TRANSIENT SPECTROSCOPY USINGMICROWAVE REFLECTION 523

M.S. Wang and J.M. Borrego

MINORITY CARRIER INDUCED DEBONDING OF HYDROGEN FROMSHALLOW DONORS IN SILICON 529

Carleton H. Seager and Robert A. Anderson

LONG RANGE COULOMB EFFECTS ON HYDROGEN DEBONDING FROMBORON ACCEPTORS IN SILICON 535

R.A. Anderson and C.H. Seager

INVESTIGATION OF DEEP LEVEL DEFECTS IN MERCURIC IODIDEBY THERMALLY STIMULATED CURRENT SPECTROSCOPY 541

X.J. Bao, T.E. Schlesinger, R.B. James, A.Y. Cheng,C. Ortale, and L. van den Berg

DLTS STUDY OF OPTOELECTRONIC DEVICES IN THE DYNAMICREGIME 547

S. Mil'shtein, D. Tripp, and A. Karakashian

STRUCTURAL PROPERTIES OF a-Ge^N^.H ALLOYS 555F.C. Marques and I. Chambouleyron

HYPERFINE AND SUPERHYPERFINE TENSORS AS PROBES OF THELOCAL ENVIRONMENT OF DEEP-LEVEL DEFECT CENTERS 561

Michael Cook and C.T. White

TEMPERATURE DEPENDENT RECOMBINATION LIFETIMEIN SILICON: INFLUENCE OF TRAP LEVEL 567

Andrzej Buczkowski, Zbigniew J. Radzimski,Yoshi Kirino, Fumio Shimura, andGeorge A. Rozgonyi

HYDROGEN DIFFUSION IN N-TYPE SILICON. COMPARISONWITH P-TYPE SILICON 573

R. Rizk, P. de Mierry, D. Ballutaud,M. Aucouturier, and D. Mathiot

NEUTRON IRRADIATED URANIUM SILICIDES STUDIED BYNEUTRON DIFFRACTION AND RIETVELD ANALYSIS 579

R.C. Birtcher, M.H. Mueller, andJ.W. Richardson, Jr.

MODIFICATIONS IN GAP STATE DISTRIBUTION UPON HIGHENERGY ELECTRON BOMBARDMENT IN n TYPE HYDROGENATEDAMORPHOUS SILICON 585

Suvarna Babras, S.V. Bhoraskar, and V.G. Bhide

EVIDENCE OF FORBIDDEN REFLECTIONS IN THE DIFFUSESCATTERING OF HgQ 8()Cd0 2QTe SINGLE CRYSTALS 593

J.P. Quintana'

ANALYSIS OF OXYGEN GETTERING AND DISLOCATION LOCKINGIN SILICON 597

Dimitrios Maroudas and Robert A. Brown






PART V: INTERFACES AND SURFACES

SCANNING TUNNELING MICROSCOPY IMAGING OF DEFECTS INLAYERED COMPOUNDS 605

G.P.E.M. Van Bakel, J.Th.M. De Hosson, and T. Hibma

A SCANNING TUNNELING MICROSCOPY STUDY OF THE REDUCEDTiO2(110) SURFACE 611

Gregory S. Rohrer, Victor E. Henrich, andDawn A. Bonnell

IMAGING OF CRACKS IN SEMICONDUCTOR SURFACES USINGSCANNING TUNNELING MICROSCOPY 617

T. Foecke, R. King, A. Dale, and W.W. Gerberich

SIMULATIONS OF STEP MOTION DURING CRYSTAL EVAPORATION 623A. Peter Jardine

*STUDY OF SURFACE DEFECTS WITH THE REFLECTED ELECTRONS 629Tung Hsu

DEFECTS IN THE STRUCTURE OF S=27 <110> TILT GRAIN-BOUNDARIES IN Ge 637

Stuart McKernan, C. Barry Carter, and Zvi Elgat

CHARACTERIZATION OF INTERFACIAL STRUCTURE IN LARGELATTICE MISMATCH HETEROEPITAXY: Ag/Si(lll) 643

D.C. McKenna, G.-C. Wang, and K. Rajan

HREM STUDY OF Al-Si INTERFACES 649Mohammad Shamsuzzoha, Pierre A. Deymier, andDavid J. Smith

COMBINED TEM AND X-RAY TOPOGRAPHIC CHARACTERIZATIONOF In^Ga1-xAs/GaAs STRAINED LAYER SYSTEMS 655

Michael Dudley, Gong-Da Yao, David Paine,David Howard, and Robert N. Sacks

THREADING DISLOCATION DENSITIES IN MISMATCHEDHETEROEPITAXIAL (001) SEMICONDUCTORS 661

J.E. Ayers, S.K. Ghandhi, and L.J. Schowalter

WRONG BONDS AT COMPOUND SEMICONDUCTOR GRAINBOUNDARIES 667

W.R.L. Lambrecht, C.H. Lee, M. Methfessel,M. van Schilfgaarde, C. Amador, and B. Segall

HIGH RESOLUTION ELECTRON MICROSCOPY STUDIES OFINTERFACES BETWEEN A12O3 SUBSTRATES AND MBE GROWNNb FILMS 673

J. Mayer, J. Dura, C.P. Flynn, and M. Riihle

INTERFACE STRUCTURE OF EPITAXIAL AND Nb FILMS ONSAPPHIRE: GRAZING INCIDENCE X-RAY DIFFRACTION ANDX-RAY REFLECTIVITY STUDIES 679

C.H. Lee, K.S. Liang, F.S. Shieu, S.L. Sass,and C.P. Flynn

*Invited Paper

xii






ELECTRON MICROSCOPY STUDY OF MOCVD-GROWN TiO2 FILMSAND TiO2/Al2O3 INTERFACES 685

Y. Gao, K.L. Merkle, H.L.M. Chang, T.J. Zhang,and D.J. Lam

TEM EVALUATION OF CuAu-I TYPE ORDERED STRUCTURES INMBE-GROWN InGaAs CRYSTALS ON (110) InP SUBSTRATES 691

O. Ueda, Y. Nakata, T. Nakamura, and T. Fujii

DEEP LEVEL DEFECT CHARACTERIZATION OF MBE GROWNInGaAs/GaAs HETEROSTRUCTURES 697

W.R. Buchwald, J.H. Zhao, and F.C. Rong

HIGH QUALITY GaAs MIS DIODES WITH VERY LOW SURFACESTATE DENSITY 703

Yoshihisa Fujisaki, Sumiko Sakai, Saburo Ataka,and Kenji Shibata

INFLUENCE OF SURFACE RELAXATION ON X-RAY TOPOGRAPHICIMAGING OF INTERFACIAL DISLOCATIONS IN HETEROSYSTEMS 707

Gong-Da Yao, Jun Wu, Michael Dudley,Vijay Shastry, and Peter Anderson

COMPARISON BETWEEN HOMO- AND HETERO-EPITAXIAL LAYERSBY PHOTOREFLECTANCE SPECTROSCOPY 713

K.L. Jiao, Z.Q. Shi, and W.A. Anderson

OBSERVATION OF HEXAGONAL AlGaAs GROWN BY OMCVD 719D.M. Hwang, T.S. Ravi, R. Bhat, S. Simhony,C.Y. Chen, and E. Kapon

FERROELASTIC DOMAIN SWITCHING IN TETRAGONALZIRCONIA 725

C.J. Chan, F.F. Lange, M. Riihle, J.F. Jue,and A.V. Virkar

INTERPRETATION OF ALUMINA/YTTRIUM-ALUMINUM GARNETORIENTATION RELATIONSHIPS BY GEOMETRIC CRITERIA 731

R.S. Hay and L.E. Matson

INTERFACE STRESS IN ARTIFICIAL MULTILAYERS 737J.A. Ruud, A. Witvrouw, and F. Spaepen

PART VI: DEFECTS IN OXIDE SUPERCONDUCTORS

•IRRADIATION DEFECT STRUCTURES IN YBa2Cu307_x AND THEIRCORRELATION WITH SUPERCONDUCTING PROPERTIES 743

Marquis A. Kirk

DEFECT NETWORK IN SUPERCONDUCTING CERAMIC OXIDESSTUDIED BY NEUTRON AND PROTON IRRADIATION 753

E. Mezzetti, D. Andreone, G. Castagno,R. Cherubini, S. Colombo, R. Gerbaldo,and B. Minetti

*Invited Paper

xiii






SHORT RANGE ORDER STRUCTURES IN Y-Pr-Ba-Cu-0 SYSTEMSTUDIED BY X-RAY ABSORPTION FINE STRUCTURE (XAFS)TECHNIQUES 759

Y.H. Kao, A. Krol, Z.H. Ming, C.S. Lin, Y.L. Soo,C.X. Gu, I.S. Yang, and C.C. Tsuei

DEFECT DEPENDENCE OF POSITRON LIFETIMES IN OXIDESUPERCONDUCTORS 765

P.A. Sterne, J.C. O'Brien, R.H. Howell, andJ.H. Kaiser

THE ROLE OF CATION POINT DEFECTS AND OXYGENINTERSTITIALS ON MODULATIONS IN UNDOPED AND DOPEDBi-Sr-Ca-Cu-0 SUPERCONDUCTORS 771

P.L. Gai, M.A. Subramanian, and A.W. Sleight

INVESTIGATIONS OF YBa2Cu307_5 FILMS GROWN ONVICINALLY-POLISHED MgO SUBS~TRATES 777

S.K. Strei.ff.er, B.M. Larson, and J.C. Bravman

DEFECT CHEMISTRY OF HIGH Tc SUPERCONDUCTORS 783Kazuo Fueki and Yasushi Idemoto

NEW CONCEPTS IN MODELLING INTERFACIAL DEFECTS INYBa2Cu307_x 789

John G. Darab, R.K. MacCrone, and K. Rajan

OXYGEN DIFFUSION IN La2_xSrxCu04_ 795Elizabeth J. Opila, Harry L. Tuller,Bernhardt J. Wuensch, and Joachim Maier

OXYGEN IN-DIFFUSION AND OUT-DIFFUSION IN SINGLECRYSTAL YBa2Cu307_5 801

John R. LaGraff, Pengdi Han, and David A. Payne

THEORETICAL MODELING AND EXPERIMENTAL CHARACTERIZATIONOF PLANAR DEFECTS IN Y2Ba4Cu6+x014+x 807

C.P. Burmester, M. Fendorf, L.T. Wille, andR. Gronsky

DEFECTS IN DECOMPOSED YBa2Cu40x (124) SUPERCONDUCTORAFTER RAPID ANNEALING 813

Y. Li, Y. Gao, K.L. Merkle, H. Shi, andU. Balachandran

ELASTIC AFTER-EFFECT DUE TO OXYGEN RELAXATION INYBa2Cu307_5 ABOVE Tc 819

J.R. Cost, P.E. Armstrong, R.B. Poeppel, andJ.T. Stanley

THERMAL DESORPTION STUDIES OF ISOTOPICALLY-LABELEDOXYGEN FROM La2Cu04+5 825

N.D. Shinn, M.E. Bartram, J.E. Schirber,D.L. Overmyer, J.W. Rogers, Jr., Z. Fisk,and S.-W. Cheong

xiv






ELECTRON CHANNELING PATTERN: A TOOL FOR STUDYINGYBaCuO-HTSC THIN FILMS 831

K.H. Young, J.Z. Sun, T.W. James, andB.J.L. Nilsson

PREPARATION AND CHARACTERIZATION OF La1Sr2Nb5010_x

SPECIMENS 837Donald H. Galvan, M. Avalos-Borja, L. Cota-Araiza,J. Cruz-Reyes, and E.A. Early

HIGH RESOLUTION DOUBLE CRYSTAL DIFFRACTOMETRY OFHIGH T c SUPERCONDUCTING EPITAXIAL Gd-Ba-Cu-0 FILMS 841

D.Y. Dai, G.S. Green, B.K. Tanner, H.C. Li,H.R. Yi, and R.L. Wang

EFFECT OF 120 MeV OXYGEN ION IRRADIATION ONCURRENT-VOLTAGE CHARACTERISTICS IN YBaCuO 847

A. Iwase, N. Masaki, T. Iwata, and T. Nihira

SEVERAL IMPORTANT PROBLEMS IN YBaCuO AND ITS DOPEDSYSTEMS 853

H. Zhang, S.Q. Feng, Q.R. Feng, X. Zhu, andZ.Z. Gan

GAMMA RADIATION EFFECTS ON SOME PROPERTIES OF YBCO 861L. Luo, Y.H. Zhang, S.H. Hu, W.H. Liu,G.L. Chang, and W.X. Hu

THE OXYGEN DEFECT CHEMISTRY OF La2_xSrxCu04 .2+5 867Elizabeth J. Opila and Harry L. Tuller

MICROSTRUCTURES IN Y-Ba-Cu-0 THIN FILMS INVESTIGATEDBY XAFS TECHNIQUES 87 3

A. Krol, Z.H. Ming, C.S. Lin, Y.L. Soo, C.X. Gu,Y.H. Kao, E. Narumi, D.T. Shaw, and G.C. Smith

POSITRON LIFETIME STUDIES OF DEFECT STRUCTURES INBal-xKxBi03 8 7 7

"j.C. O'Brien, R.H. Howell, H.B. Radousky,P.A. Sterne, D.G. Hinks, T.J. Folkerts, andR.N. Shelton

SUBSTITUTION AND DEFECT CHEMISTRY OF La-Cu-0 SYSTEMS 883P.L. Gai, M. Kunchur, and E.M. McCarron

NONSTOICHIOMETRY, DEFECT STRUCTURE AND ENERGETICSIN T (La2MO4; M=Cu,Ni) AND T'(Nd2Cu04) STRUCTURES 889

Anurag Dwivedi and A.N. Cormack

PHONONS, OXYGEN ISOTOPE EFFECT AND SUPERCONDUCTIVITYIN Ba^K^BiC^ 895

W. Jin, C.K. Loong, D.G. Hinks, P. Vashishta,R.K. Kalia, M.H. Degani, D.L. Price,J.D. Jorgensen, and B. Dabrowski

UNSTABLE PLANE IN Bi-Sr-Ca-Cu-0 SYSTEM BY TGA 901H. Zhang, Q.R. Feng, S.Q. Feng, X. Zhu, andZ.Z. Gan






MOLECULAR CALCULATIONS OF INTERPLANAR ELECTRONICINTERACTIONS IN A YBACu2O6+5 CLUSTER AS A FUNCTIONOF THE OXYGEN CONCENTRATION 905

J.A. Cogordan, L.E. Sansores, and A.A. Valladares

AUTHOR INDEX 911

SUBJECT INDEX 9l5

MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS 921






Preface

This volume represents the proceedings of the FourthInternational Symposium held by MRS on the Characterization ofDefects in Materials. Like its predecessors, the symposium wasdesigned to be broad in scope and cover the structure andproperties of all types of defects in all classes of materials.To a large extent this goal was achieved since papers werepresented describing investigations on point, line, and planardefects (including surfaces) in metals, alloys, polymers,ceramics, amorphous materials, semiconductors, superconductors,composites and intercalated fibers. The wide variety of systemsstudied clearly reflects the importance of defects in materialsscience. While experimental investigations still dominated thesymposium, a significant fraction of contributions focused ontheory and simulation. This book contains 142 of the 206 paperspresented in both oral and poster sessions representingcontributions from fourteen different countries.

The symposium was sponsored by the Air Force Office ofScientific Research, Argonne National Laboratory, PhilipsElectronic Instruments, Blake Industries, Inc. and Eastman KodakCompany. The organizers are grateful for their financialsupport. They also want to thank the invited speakers, sessionchairpersons and manuscript reviewers for their contributionstoward making the symposium a success. Finally, the organizersextend their gratitude to Barbara Rich and Sandy Ung for theirdiligent secretarial support.

Paul D. BristoweJ. Ernest EppersonJospeh E. GriffithZuzanna Liliental-Weber

February 1991






MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS

Volume 180—Better Ceramics Through Chemistry IV, C.J. Brinker, D.E. Clark,D.R. Ulrich, B.J.J. Zelinsky, 1990, ISBN: 1-55899-069-0

Volume 181—Advanced Metallizations in Microelectronics, A. Katz, S.P. Murarka,A. Appelbaum, 1990, ISBN: 1-55899-070-4

Volume 182—Polysilicon Thin Films and Interfaces, B. Raicu, T.Kamins,C.V. Thompson, 1990, ISBN: 1-55899-071-2

Volume 183—High-Resolution Electron Microscopy of Defects in Materials, R. Sinclair,D.J. Smith, U. Dahmen, 1990, ISBN: 1-55899-072-0

Volume 184—Degradation Mechanisms in III-V Compound Semiconductor Devices andStructures, V. Swaminathan, SJ. Pearton, O. Manasreh, 1990,ISBN: 1-55899-073-9

Volume 185—Materials Issues in Art and Archaeology II, J.R. Druzik, P.B. Vandiver,G. Wheeler, 1990, ISBN: 1-55899-074-7

Volume 186—Alloy Phase Stability and Design, CM. Stocks, D.P. Pope, A.F. Giamei,1990, ISBN: 1-55899-075-5

Volume 187—Thin Film Structures and Phase Stability, B.M. Clemens, W.L. Johnson,1990, ISBN: 1-55899-076-3

Volume 188—Thin Films: Stresses and Mechanical Properties II, W.C. Oliver,M. Doerner, G.M. Pharr, F.R. Brotzen, 1990, ISBN: 1-55899-077-1

Volume 189—Microwave Processing of Materials II, W.B. Snyder, W.H. Sutton,D.L, Johnson, M.F. Iskander, 1990, ISBN: 1-55899-078-X

Volume 190—Plasma Processing and Synthesis of Materials III, D. Apelian, J. Szekely,1990, ISBN: 1-55899-079-8

Volume 191—Laser Ablation for Materials Synthesis, D.C. Paine, J.C. Bravman, 1990,ISBN: 1-55899-080-1

Volume 192—Amorphous Silicon Technology, P.C. Taylor, M.J. Thompson,P.G. LeComber, Y. Hamakawa, A. Madan, 1990, ISBN: 1-55899-081-X

Volume 193—Atomic Scale Calculations of Structure in Materials, M.A. Schluter,M.S. Daw, 1990, ISBN: 1-55899-082-8

Volume 194—Intermetallic Matrix Composites, D.L. Anton, R. McMeeking, D. Miracle,P. Martin, 1990, ISBN: 1-55899-083-6

Volume 195—Physical Phenomena in Granular Materials, T.H. Geballe, P. Sheng,G.D. Cody, 1990, ISBN: 1-55899-084-4

Volume 196—Superplasticity in Metals, Ceramics, and Intermetallics, M.J. Mayo,J. Wadsworth, M. Kobayashi, A.K. Mukherjee, 1990, ISBN: 1-55899-085-2

Volume 197—Materials Interactions Relevant to the Pulp, Paper, and Wood Industries,J.D. Passaretti, D. Caulfield, R. Roy, V. Setterholm, 1990,ISBN: 1-55899-086-0

Volume 198—Epitaxial Heterostructures, D.W. Shaw, J.C. Bean, V.G. Keramidas,P.S. Peercy, 1990, ISBN: 1-55899-087-9

Volume 199—Workshop on Specimen Preparation for Transmission ElectronMicroscopy of Materials II, R. Anderson, 1990, ISBN: 1-55899-088-7

Volume 200—Ferroelectric Thin Films, A.I. Kingon, E.R. Myers, 1990,ISBN: 1-55899-089-5

Volume 201—Surface Chemistry and Beam-Solid Interactions, H. Atwater, F.A. Houle,D. Lowndes, 1991, ISBN: 1-55899-093-3

Volume 202—Evolution of Thin Film and Surface Microstructure, C.V. Thompson,J.Y. Tsao, D.J. Srolovitz, 1991, ISBN: 1-55899-094-1






MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS

Volume 203—Electronic Packaging Materials Science V, E.D. Lillie, RJ. Jaccodine, P. Ho,K. Jackson, 1991, ISBN: 1-55899-095-X

Volume 204—Chemical Perspectives of Microelectronic Materials II, L.H. Dubois,L.V. Interrante, M.E. Gross, K.F. Jensen, 1991 ISBN: 1-55899-096-8

Volume 205—Kinetics of Phase Transformations, M.O. Thompson, M. Aziz,G.B. Stephenson, D. Cherns, 1991, ISBN: 1-55899-097-6

Volume 206—Clusters amd Cluster-Assembled Materials, R.S. Averback, D.L. Nelson,J. Bernholc, 1991, ISBN: 1-55899-098-4

Volume 207—Mechanical Properties of Porous and Cellular Materials, L.J. Gibson,D. Green, K. Sieradzki, 1991, ISBN-1-55899-099-2

Volume 208—Advances in Surface and Thin Film Diffraction, P.I. Cohen,D.J. Eaglesham, T.C. Huang, 1991, ISBN: 1-55899-100-X

Volume 209—Defects in Materials, P.D. Bristowe, J.E. Epperson, J.E. Griffith,Z. Liliental-Weber, 1991, ISBN: 1-55899-101-8

Volume 210—Solid State Ionics II, G.-A. Nazri, R.A. Huggins, D.F. Shriver,M. Balkanski, 1991, ISBN: 1-55899-102-6

Volume 211—Fiber-Reinforced Cementitious Materials, S. Mindess, J.P. Skalny, 1991,ISBN: 1-55899-103-4

Volume 212—Scientific Basis for Nuclear Waste Management XIV, T. Abrajano, Jr.,L.H. Johnson, 1991, ISBN: 1-55899-104-2

Volume 213—High Temperature Ordered Intermetallic Alloys IV, L. Johnson, D.P. Pope,J.O. Stiegler, 1991, ISBN: 1-55899-105-0

Volume 214—Optical and Electrical Properties of Polymers, J.A. Emerson,J.M. Torkelson, 1991, ISBN: 1-55899-106-9

Volume 215—Structure, Relaxation and Physical Aging of Glassy Polymers, RJ. Roe,J.M. O'Reilly, J. Torkelson, 1991, ISBN: 1-55899-107-7

Volume 216—Long-Wavelength Semiconductor Devices, Materials and Processes,A. Katz, R.M. Biefeld, R.J. Malik, R.L. Gunshor, 1991, ISBN 1-55899-108-5

Volume 217—Advanced Tomographic Imaging Methods for the Analysis of Materials,J.L. Ackerman, W.A. Ellingson, 1991, ISBN: 1-55899-109-3

Volume 218—Materials Synthesis Based on Biological Processes, M. Alper, P.C. Rieke,R. Frankel, P.D. Calvert, D.A. Tirrell, 1991, ISBN: 1-55899-110-7

Earlier Materials Research Society Symposium Proceedings listed in the back.






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