MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS VOLUME 358 Microcrystalline and Nanocrystalline Semiconductors Symposium held November 29-December 2, 1994, Boston, Massachusetts, U.S.A. EDITORS: Robert W. Collins The Pennsylvania State University University Park, Pennsylvania, U.S.A. Chuang Chuang Tsai Xerox PARC Palo Alto, California, U.S.A. Masataka Hirose Hiroshima University Hiroshima, Japan Frederick Koch Technische Universitat Munchen Garching, Germany Louis Brus AT&T Bell Laboratories Murray Hill, New Jersey, U.S.A. iMjRlsl MATERIALS RESEARCH SOCIETY Pittsburgh, Pennsylvania
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MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS VOLUME 358
Microcrystalline and NanocrystallineSemiconductors
Symposium held November 29-December 2, 1994, Boston, Massachusetts, U.S.A.
EDITORS:
Robert W. Collins
The Pennsylvania State UniversityUniversity Park, Pennsylvania, U.S.A.
Chuang Chuang Tsai
Xerox PARC
Palo Alto, California, U.S.A.
Masataka Hirose
Hiroshima UniversityHiroshima, Japan
Frederick Koch
Technische Universitat Munchen
Garching, Germany
Louis Brus
AT&T Bell Laboratories
Murray Hill, New Jersey, U.S.A.
iMjRlslMATERIALS RESEARCH SOCIETY
Pittsburgh, Pennsylvania
Contents
PREFACE xix
MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS xxv
PART I: THEORY OF MOLECULAR CLUSTERS,NANOCRYSTALS, AND POROUS SILICON
FIRST-PRINCIPLES CALCULATION OF THE OPTICAL PROPERTIES
OF NANOCRYSTALLINE SILICON 3
Masahiko Hirao
THEORY OF THE PHYSICAL PROPERTIES OF Si NANOCRYSTALS 13M. Lannoo, C. Delerue, G. Allan, and E. Martin
CALCULATION OF THE ELECTRONIC STRUCTURE OF SILICON
NANOCRYSTALS 25
Nicola A. Hill and K. Birgitta Whaley
ELECTRONIC PROPERTIES OF POROUS SILICON 31
M.R. Beltran, J. Taguena-Martinez, M. Cruz, and C. Wang
EFFECT OF GEOMETRICAL IRREGULARITIES ON THE BAND
GAP OF POROUS SILICON 37
B. Sapoval and S. Russ
EFFECTIVE DIELECTRIC FUNCTION OF POROUS SILICON:
THE TRANSVERSE COMPONENT 43J.E. Lugo, J.A. del Rfo, J. Taguena-Martfnez, and
J.A. Ochoa-Tapia
OPTICAL CHARACTERIZATION OF AN ARRAY OF QUANTUM WIRES 49
G. Gumbs
ELECTRONIC AND STRUCTURAL PROPERTIES OF SL,:A NOVEL SOLID OF SILICON FULLERENES 55
Susumu Saito and Atsushi Oshiyama
ELECTRONIC PROPERTIES OF SILICON - M BINARY CLUSTERS
(M = C & Na) 61A. Nakajima, K. Nakao, M. Gomei, R. Kishi, S. Iwata,and K. Kaya
A MONTE CARLO SIMULATION OF THE STILLINGER-WEBER
MODEL FOR Si-Ge ALLOYS 67Mohamed Laradji, D.P. Landau, and B. Dunweg
A TIGHT-BINDING MODEL FOR MOLECULAR DYNAMICS OF
CARBON-HYDROGEN SYSTEMS 73
G. Kopidakis, C.Z. Wang, CM. Soukoulis, and K.M. Ho
PART II: SYNTHESIS AND PROPERTIES
OF GROUP IV MOLECULAR AND SOLID STATE
CLUSTERS AND NANOCRYSTALS
LUMINESCENCE PROPERTIES OF SILICON CLUSTERS: CHAIN,LADDER AND CUBIC STRUCTURES 81
Yoshihiko Kanemitsu
Invited Paper
v
SS,__Ge_Y ALLOY NANOCLUSTER MATERIALS
CHEMICAL VAPOR DEPOSITION OF SLFL/Ge-HgMIXTURES IN ZEOLITE Y 87
Omer Dag, Alex Kuperman, and Geoffrey A. Ozin
FABRICATION OF PHOTOLUMINESCENT AMORPHOUS PILLAR
SILICON STRUCTURES 93
S. Lazarouk, S. Katsuba, N. Kazuchits, G. de Cesare,S. La Monica, G. Maiello, E. Proverbio, and A. Ferrari
CONTROL OF THE CRYSTALLITE SIZE AND DIELECTRIC TISSUE
IN nc-Si/Si02 PLASMA CVD FILMS: ORIGIN OF THE GREEN/
BLUE AND THE EFFICIENCY OF THE RED PHOTOLUMINESCENCE 99
S. Vepfek, Th. Wirschem, M. RuckschlojS, H. Tamura,and J. Oswald
A NEW METHOD FOR PREPARING Ge NANO-CRYSTALLITESEMBEDDED IN SiN MATRICES Ill
OF PbS NANOPARTICULATE FILMS GROWN UNDER SURFACTANT
MONOLAYERS 259
Yongchi Tian, Changjun Wu, Nicholas Kotov, and
Janos H. Fendler
OPTICAL PROPERTIES OF LEAD SULFIDE NANOCLUSTERS: EFFECTS
OF SIZE, STOICHIOMETRY AND SURFACE ALLOYING 265
D.E. Bliss, J.P. Wilcoxon, P.P. Newcomer, and G.A. Samara
QUANTUM CONFINEMENT IN COATED SEMICONDUCTOR
NANO-PARTICLES 271
H.S. Zhou, H. Sasahara, I. Honma, H. Komiyama,H. Sasabe, and J.W. Haus
OPTICAL FEATURES OF NANOSIZE IRON AND MOLYBDENUM
SULFIDE CLUSTERS 277
J.P. Wilcoxon, G. Samara, and P. Newcomer
SOME NATURAL THREE- AND LOWER-DIMENSIONAL
SEMICONDUCTOR SYSTEMS WITH METAL-HALIDE UNITS 283
George C. Papavassiliou, LB. Koutselas, A. Terzis,and C.P. Raptopoulou
"LUMINESCENCE AND RESONANCE RAMAN SPECTROSCOPY OF
INDIRECT EXCITONS IN AgBr NANOCRYSTALS 289S. Pawlik, H. Stolz, and W. von der Osten
QUANTUM CONFINEMENT EFFECTS ON 100-400 A DIAMETER
SILVER BROMIDE MICROCRYSTALS 301
Michal liana Freedhoff, George McLendon, and Alfred Marchetti
CONTROLLED RECRYSTALLIZATION OF HEMATITE FROM
TWO HIGHLY DIFFERENT PHASES OF FERRIC TRIHYDROXIDE 307
Georges Denes, P. Kabro, and M.C. Madamba
PART IV: SYNTHESIS, SURFACE EFFECTS,AND PROCESS/PROPERTY CORRELATIONS
FOR POROUS SILICON
EXTENDED QUANTUM MODEL FOR POROUS SILICON
FORMATION 315
H. Munder, St. Frohnhoff, M.G. Berger, M. Marso,M. Thonissen, R. Arens-Fischer, and H. Liith
NON-DESTRUCTIVE CHARACTERIZATION OF POROUS SILICON
USING X-RAY REFLECTIVITY 321
E. Chason, T.R. Guilinger, M.J. Kelly, T.J. Headley,and A.J. Howard
*Invited Paper
viii
FORMATION AND PROPERTIES OF POROUS Si SUPERLATTICES 327M.G. Berger, R. Arens-Fischer, St. Frohnhoff, C. Dieker,K. Winz, H. Miinder, H. Liith, M. Arntzen, and W. Theiss
PREPARATION, PROPERTIES AND APPLICATIONS OF FREE-STANDINGPOROUS SILICON FILMS 333
J. von Behren, L. Tsybeskov, and P.M. Fauchet
THE FORMATION OF POROUS SILICON LAYERS FORMED IN A
NON-AQUEOUS ELECTROLYTE 339Melissa M. Rieger and Paul A. Kohl
COMBINED OPTICAL, SURFACE AND NUCLEAR MICROSCOPICASSESSMENT OF POROUS SILICON FORMED IN HF-ACETONITRILE 345
Z.C. Feng, Z. Chen, K.R. Padmanabhan, K. Li, A.T.S. Wee,J. Lin, K.L. Tan, K.T. Yue, A. Bhat, and A. Rohatgi
THE EFFECT OF STARTING SILICON CRYSTAL STRUCTURE ON
PHOTOLUMINESCENCE INTENSITY OF POROUS SILICON 351W.B. Dubbelday, S.D. Russell, and K.L. Kavanagh
PECULIARITY OF POROUS SILICON FORMED IN THE
TRANSITION REGIME 357S. Lazarouk, V. Chumash, E. Fazio, S. La Monica,G. Maiello, and E. Proverbio
COMPARISON OF POROUS SILICON ETCHED GENTLY AND
UNDER ILLUMINATION 363Adam A. Filios and Raphael Tsu
EFFECT OF RAPID THERMAL OXIDATION ON BLUE AND RED
LUMINESCENCE BANDS OF POROUS SILICON 369S. Sen, A.J. Kontkiewicz, A.M. Kontkiewicz, G. Nowak,J. Siejka, P. Sakthivel, K. Ahmed, P. Mukherjee,S. Witanachchi, A.M. Hoff, and J. Lagowski
Er-IMPLANTED POROUS SILICON: A NOVEL MATERIAL FOR
Si-BASED INFRARED LEDs 375
Fereydoon Namavar, F. Lu, C.H. Perry, A. Cremins,N.M. Kalkhoran, J.T. Daly, and R.A. Soref
POST-ANODIZATION IMPLANTATION AND CVD TECHNIQUESFOR PASSIVATION OF POROUS SILICON 381
S.P. Duttagupta, L. Tsybeskov, P.M. Fauchet,E. Ettedgui, and Y. Gao
CHEMICAL MODIFICATION OF THE POROUS SILICON SURFACE 387Eric J. Lee, James S. Ha, and Michael J. Sailor
INVESTIGATION OF CHEMICAL ADSORBATE EFFECTS ON BLUEAND RED EMITTING POROUS SILICON SAMPLES 393
Julie M. Rehm, George L. McLendon, Leonid Tsybeskov,and Philippe M. Fauchet
FTIR STUDIES OF CH3OH ON POROUS SILICON 399John A. Glass, Jr., Edward A. Wovchko, and John T. Yates, Jr.
ix
PART V: STRUCTURAL, OPTICAL, ANDTHERMAL PROPERTIES OF POROUS SILICON
*SIZE, SHAPE, AND CRYSTALLINITY OF LUMINESCENT STRUCTURESIN OXIDIZED Si NANOCLUSTERS AND H-PASSIVATED POROUS Si 407
S. Schuppler, S.L. Friedman, M.A. Marcus, D.L. Adler,Y.-H. Xie, F.M. Ross, T.D. Harris, W.L. Brown, YJ. Chabal,P.J. Szajowski, E.E. Chaban, L.E. Brus, and P.H. Citrin
RECIPROCAL SPACE ANALYSIS OF THE MICROSTRUCTURE OFLUMINESCENT AND NONLUMINESCENT POROUS SILICON FILMS 417
ELECTRICAL CHARACTERISTICS OF ULTRA-THIN MULTI-LAYERS
OF POLY-Si AND SILICON DIOXIDE 845Kevin K. Chan, Young H. Lee, and Carol L. Stanis
LUMINESCENCE PROPERTIES OF SILICON OXYNITRIDE FILMS 851
T. Fischer, T. Muschik, R. Schwarz, D. Kovalev, and F. Koch
X-RAY DIFFRACTION STUDY OF CLUSTERS IN a-tC FILMS 857L.J. Martinez-Miranda, T.A. Friedmann, J.P. Sullivan,M.P. Siegal, T.W. Mercer, N.J. DiNardo, and F. Fang
SURFACE STRUCTURE OF TETRAHEDRAL-COORDINATED AMORPHOUSDIAMOND-LIKE CARBON FILMS GROWN BY PULSED LASER DEPOSITION 863
T.W. Mercer, N.J. DiNardo, L.J. Martinez-Miranda, F. Fang,T.A. Friedmann, J.P. Sullivan, and M.P. Siegal
PART X: PREPARATION, CHARACTERIZATION, AND
APPLICATIONS OF POLYCRYSTALLINE FILMS
CONTROL OF GRAIN SIZE AND TEXTURE OF POLY-Si WITH ATOMICHYDROGEN UNDER IN SITU ELLIPSOMETRIC OBSERVATION 871
K. Nakamura, T. Akasaka, D. He, and I. Shimizu
EARLY STAGE OF POLYCRYSTALLINE GROWTH OF Ge AND SiGe BYREACTIVE THERMAL CVD FROM GeF4 AND Si2H6 877
Jun-Ichi Hanna, Takayuki Ohuchi, and Masaji Yamamoto
THIN FILM POLYCRYSTALLINE Si BY CS SOLUTION GROWTH
TECHNIQUE 883
Richard L. Wallace, Wayne A. Anderson, and K.M. Jones
THE CRYSTALLINE QUALITY OF EPITAXIAL Si LAYERS SOLUTION
GROWN ON POLYCRYSTALLINE Si SUBSTRATES 889
M. Albrecht, B. Steiner, Th. Bergmann, A. Voigt, W. Dorsch,H.P. Strunk, and G. Wagner
HIGH-QUALITY POLYCRYSTALLINE SILICON THIN FILM PREPAREDBY A SOLID PHASE CRYSTALLIZATION METHOD 895
T. Baba, T. Matsuyama, T. Sawada, T. Takahama,K. Wakisaka, and S. Tsuda
GRAIN BOUNDARY LOCATION-CONTROLLED POLY-Si FILMS FORTFT DEVICES OBTAINED VIA NOVEL EXCIMER LASER PROCESS 903
H.J. Kim and James S. Im
LASER DOPING AND CRYSTALLIZATION OF AMORPHOUSSILICON THIN FILMS 909
J.B. Boyce, G.B. Anderson, P.G. Carey, D.K. Fork, R.I. Johnson,P. Mei, S.E. Ready, and P.M. Smith
Nd-YAG LASER INDUCED CRYSTALLIZATION ON a-Si:H THIN FILMS 915
J. Carvalho, I. Ferreira, B. Fernandes, J. Fidalgo, and R. Martins
EFFECT OF DEPOSITION TEMPERATURE ON THE PHOTORESPONSE OFCRYSTALLIZED HYDROGENATED AMORPHOUS SILICON FILMS 921
Nagarajan Sridhar, D.D.L. Chung, W.A. Anderson, and J. Coleman
CARRIER TRANSPORT IN POLYCRYSTALLINE AND AMORPHOUS SILICONTHIN FILM TRANSISTORS 927
T. Sameshima, M. Sekiya, M. Hara, N. Sano, and A. Kohno
XV
STRUCTURAL AND ELECTRICAL CHARACTERIZATION OF UNDOPED
POLY-Si OXIDES 933
T. Sakamoto, H. Tokioka, S. Takanabe, T. Kubota,Y. Niwano, Y. Goto, H. Namizaki, O. Wada, and H. Kurokawa
EFFECT OF THE HETERO-INTERFACE ON THE PHOTORESPONSE
OF a-Si/c-Si SOLAR CELLS 939
B. Jagannathan, J. Yi, R. Wallace, and W.A. Anderson
DIFFUSION BEHAVIOR OF B-, As- AND Sb-DOPANTS IN
THIN EPITAXIAL LAYERS 945
W.H. Krautschneider, F. Lau, H. Gossner, and
H. Schaefer
IMPROVED SiCr RESISTOR PERFORMANCE BY MEANS OF RAPID
THERMAL PROCESSING 951Pirouz Maghsoudnia
PART XI: SINGLE CRYSTAL DOTS, WIRES,HETEROSTRUCTURES, AND SUPERLATTICES:
THEORY AND EXPERIMENT
SCALABLE FABRICATION AND OPTICAL CHARACTERIZATIONOF nm Si STRUCTURES 957
Saleem H. Zaidi, An-Shyang Chu, and S.R.J. Brueck
FORMATION OF HIGHLY-UNIFORM AND DENSELY-PACKED ARRAYS
OF GaAs DOTS BY SELECTIVE EPITAXY 969Charles S. Tsai, Robert B. Lee, and Kerry J. Vahala
DETERMINATION OF THE STRAIN STATUS OF GaAs/AlAs
QUANTUM WIRES AND QUANTUM DOTS 975
A.A. Darhuber, G. Bauer, P.D. Wang, Y.P. Song,CM. Sotomayor Torres, and M.C. Holland
PHOTOLUMINESCENCE OF A SINGLE-CRYSTAL SILICON
QUANTUM WELL 981
Peter N. Saeta and Alan C. Gallagher
CARRIER CONFINEMENT EFFECTS IN EPITAXIAL SILICONQUANTUM WELLS PREPARED BY MOCVD 987
H. Paul Maruska, R. Sudharsanan, Eric Bretschneider, Albert Davydov,J.E. Yu, Balu Pathangey, K.S. Jones, and Timothy J. Anderson
CHARACTERIZATION OF HIGH Ge CONTENT SiGe HETEROSTRUCTURES
AND GRADED ALLOY LAYERS USING SPECTROSCOPIC ELLIPSOMETRY 993
A.R. Heyd, S.A. Alterovitz, and E.T. Croke
LUMINESCENCE PROPERTIES OF PERIODIC DISORDERED
THIN LAYER GaAs/AlAs SUPERLATTICES 999
Ruth Y.A. Zhang, J. Strozier, C. Horton, and A. Ignatiev
BAND OFFSETS OF InAsJ> JInP STRAINED LAYER QUANTUMWELLS GROWN BY LP-MOVPE USING TBAs 1005
M. Beaudoin, R.A. Masut, L. Isnard, P. Desjardins, A. Bensaada,G. L'Esperance, and R. Leonelli
ELECTRONIC STATES IN Cd, ZnTe/CdTe STRAINED LAYER COUPLED
DOUBLE QUANTUM WELLS AND THEIR PHOTOLUMINESCENCE 1011
Tiesheng Li, H.J. Lozykowski, and J. Reno
*Invited Paper
xvi
PHOTOLUMINESCENCE STUDIES OF [(CdSeUZnSeVL-ZnSeTeMULTIPLE QUANTUM WELLS UNDER HIGH PRESSURE 1017