Physical Review B
– 15 November 2001
Volume 64, Issue 19
BRIEF REPORTS
Electronic structure: wide-band, narrow-band, and strongly correlated systems
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Variational finite-difference representation of the kinetic energy operator
P. Maragakis, José Soler, and Efthimios Kaxiras
Published
12 October 2001
(4 pages)
193101
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Quantum Monte Carlo calculation of the finite temperature Mott-Hubbard transition
Jaewook Joo and Viktor Oudovenko
Published
19 October 2001
(4 pages)
193102
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Probability distribution of the conductance in anisotropic systems
Marc Rühländer, Peter Markoš, and C. M. Soukoulis
Published
26 October 2001
(4 pages)
193103
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Semiconductors I: bulk
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Ab initio determination of the atomistic structure of SixGe1-x alloy
P. Venezuela, G. M. Dalpian, Antônio J. R. da Silva, and A. Fazzio
Published
30 October 2001
(4 pages)
193202
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Semiconductors II: surfaces, interfaces, microstructures, and related topics
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Analysis of InAs(001) surfaces by reflectance anisotropy spectroscopy
C. Goletti, F. Arciprete, S. Almaviva, P. Chiaradia, N. Esser, and W. Richter
Published
2 October 2001
(4 pages)
193301
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Signatures of the discrete level spectrum in temperature-dependent transport through open quantum-dot arrays
A. Shailos, C. Prasad, M. Elhassan, R. Akis, D. K. Ferry, J. P. Bird, N. Aoki, L.-H. Lin, Y. Ochiai, K. Ishibashi, and Y. Aoyagi
Published
9 October 2001
(4 pages)
193302
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Role of defects in the electronic properties of amorphous/crystalline Si interface
Maria Peressi, Luciano Colombo, and Stefano de Gironcoli
Published
9 October 2001
(4 pages)
193303
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Tuning a resonance in Fock space: Optimization of phonon emission in a resonant-tunneling device
L. E. F. Foa Torres, H. M. Pastawski, and S. S. Makler
Published
12 October 2001
(4 pages)
193304
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Fast incomplete decoherence of nuclear spins in a quantum Hall ferromagnet
T. Maniv, Yu. A. Bychkov, I. D. Vagner, and P. Wyder
Published
12 October 2001
(4 pages)
193306
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Coulomb Luttinger liquid
D. W. Wang, A. J. Millis, and S. Das Sarma
Published
15 October 2001
(4 pages)
193307
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Role of doped layers in the dephasing of two-dimensional electrons in quantum-well structures
G. M. Minkov, A. V. Germanenko, O. E. Rut, A. A. Sherstobitov, B. N. Zvonkov, E. A. Uskova, and A. A. Birukov
Published
19 October 2001
(4 pages)
193309
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Te covered Si(001): A variable surface reconstruction
Prasenjit Sen, S. Ciraci, Inder P. Batra, and C. H. Grein
Published
26 October 2001
(4 pages)
193310
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Segregation-enhanced etching of Cd during Zn deposition on CdSe quantum dots
T. Passow, H. Heinke, T. Schmidt, J. Falta, A. Stockmann, H. Selke, P. L. Ryder, K. Leonardi, and D. Hommel
Published
26 October 2001
(4 pages)
193311
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Light-induced metallization at the gallium-silica interface
P. Petropoulos, H. S. Kim, D. J. Richardson, V. A. Fedotov, and N. I. Zheludev
Published
29 October 2001
(4 pages)
193312
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Initial adsorption configurations of acetylene molecules on the Si(001) surface
Wondong Kim, Hanchul Kim, Geunseop Lee, Young-Kyu Hong, Kidong Lee, Chanyong Hwang, Dal-Hyun Kim, and Ja-Yong Koo
Published
29 October 2001
(4 pages)
193313
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Molecular dynamics simulations of solid-phase epitaxy of Si: Defect formation processes
Shinji Munetoh, Koji Moriguchi, Akira Shintani, Ken Nishihira, and Teruaki Motooka
Published
30 October 2001
(4 pages)
193314
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Bound states of L- or T-shaped quantum wires in inhomogeneous magnetic fields
Yuh-Kae Lin, Yueh-Nan Chen, and Der-San Chuu
Published
30 October 2001
(4 pages)
193316
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Surface physics, low-dimensional systems, and related topics
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Extreme hydrogen sensitivity of the transport properties of single-wall carbon-nanotube capsules
Antonis N. Andriotis, Madhu Menon, Deepak Srivastava, and George Froudakis
Published
9 October 2001
(4 pages)
193401
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Electron-phonon coupling and optical transitions for indirect-gap semiconductor nanocrystals
C. Delerue, G. Allan, and M. Lannoo
Published
12 October 2001
(4 pages)
193402
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Charge state of medium-energy He ions after large-angle single collisions
Y. Kido, T. Nishimura, Y. Hoshino, E. Toyoda, and T. Nakada
Published
12 October 2001
(3 pages)
193403
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Role of symmetry on interface states in magnetic tunnel junctions
C. Uiberacker and P. M. Levy
Published
12 October 2001
(4 pages)
193404
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Crossover in energy redistribution during C60@Xe144 surface impact
Mao-Hua Du and Hai-Ping Cheng
Published
12 October 2001
(4 pages)
193405
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Structure gap in heterogeneous catalysis: Kinetic aspects
V. P. Zhdanov
Published
12 October 2001
(4 pages)
193406
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Correlated quantum measurement of a solid-state qubit
Alexander N. Korotkov
Published
12 October 2001
(4 pages)
193407
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Electron confinement in nickel and copper nanostructures on Cu(111)
Stéphane Pons, Pierre Mallet, and Jean-Yves Veuillen
Published
15 October 2001
(4 pages)
193408
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Carbon foam: Spanning the phase space between graphite and diamond
Koichiro Umemoto, Susumu Saito, Savas Berber, and David Tománek
Published
19 October 2001
(3 pages)
193409
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Order-disorder character of the (3×3) to (√3×√3)R30° phase transition of Sn on Ge(111)
L. Petaccia, L. Floreano, A. Goldoni, D. Cvetko, A. Morgante, L. Grill, A. Verdini, G. Comelli, G. Paolucci, and S. Modesti
Published
19 October 2001
(4 pages)
193410
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Resonant surface second harmonic generation from Au films on NaCl(100)
T. Kitahara, H. Tanaka, Y. Nishioka, and G. Mizutani
Published
25 October 2001
(4 pages)
193412
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Melting and orientational order of the screened Wigner crystal on helium films
Paulo S. Branício, José-Pedro Rino, and Nelson Studart
Published
29 October 2001
(4 pages)
193413
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ARTICLES
Electronic structure: wide-band, narrow-band, and strongly correlated systems
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Effect of structural disorder on the Urbach energy in Cu ternaries
S. M. Wasim, C. Rincón, G. Marín, P. Bocaranda, E. Hernández, Ismardo Bonalde, and Ernesto Medina
Published
12 October 2001
(8 pages)
195101
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Electronic structure of the sodium and potassium electrosodalites (Na/K)8(AlSiO4)6
Georg K. H. Madsen, Bo B. Iversen, Peter Blaha, and Karlheinz Schwarz
Published
12 October 2001
(6 pages)
195102
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Further developments in the local-orbital density-functional-theory tight-binding method
James P. Lewis, Kurt R. Glaesemann, Gregory A. Voth, Jürgen Fritsch, Alexander A. Demkov, José Ortega, and Otto F. Sankey
Published
15 October 2001
(10 pages)
195103
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Analytical approach to the linear E⊗e Jahn-Teller problem
Janette L. Dunn and Mark R. Eccles
Published
15 October 2001
(12 pages)
195104
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Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface
Gökhan Esirgen, Heinz-Bernd Schüttler, Carsten Gröber, and Hans Gerd Evertz
Published
15 October 2001
(9 pages)
195105
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Transport properties of the CexLa1-xCu2.05Si2 heavy-fermion alloy system
M. Očko, D. Drobac, B. Buschinger, C. Geibel, and F. Steglich
Published
17 October 2001
(12 pages)
195106
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Dopant-host relationships in rare-earth oxides and garnets doped with trivalent rare-earth ions
Elisabeth Antic-Fidancev, Jorma Hölsä, Mika Lastusaari, and Aurelia Lupei
Published
17 October 2001
(8 pages)
195108
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Quantum theory of a nematic Fermi fluid
Vadim Oganesyan, Steven A. Kivelson, and Eduardo Fradkin
Published
17 October 2001
(6 pages)
195109
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Efficient recursion method for inverting an overlap matrix
T. Ozaki
Published
17 October 2001
(7 pages)
195110
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Energy structure of KTaO3 and KTaO3:Li
I. I. Tupitsyn, A. Deineka, V. A. Trepakov, L. Jastrabik, and S. E. Kapphan
Published
17 October 2001
(6 pages)
195111
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High-pressure luminescence studies in Ce3+:Lu2SiO5
Ulises R. Rodriguez-Mendoza, Garry B. Cunningham, Yongrong Shen, and Kevin L. Bray
Published
17 October 2001
(6 pages)
195112
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Photonic band gaps, defect characteristics, and waveguiding in two-dimensional disordered dielectric and metallic photonic crystals
Mehmet Bayindir, E. Cubukcu, I. Bulu, T. Tut, E. Ozbay, and C. M. Soukoulis
Published
17 October 2001
(7 pages)
195113
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Effect of strong correlations and static diagonal disorder in the d=∞ Hubbard model
M. S. Laad, L. Craco, and E. Müller-Hartmann
Published
18 October 2001
(7 pages)
195114
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Transferable tight-binding model for palladium and silver
Yuannan Xie and John A. Blackman
Published
18 October 2001
(11 pages)
195115
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Screening of a positron in an inhomogeneous electron gas
H. Stachowiak and E. Boroński
Published
19 October 2001
(14 pages)
195116
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Spin-entropy-driven melting of the charge order in La1.5Sr0.5CoO4
I. A. Zaliznyak, J. M. Tranquada, R. Erwin, and Y. Moritomo
Published
19 October 2001
(4 pages)
195117
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Charge density wave-assisted tunneling between Hall edge states
L. Moriconi
Published
19 October 2001
(7 pages)
195118
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Real-space solution of the coherent potential approximation equations in the Shiba approximation
J. P. Julien, P. E. A. Turchi, and D. Mayou
Published
19 October 2001
(16 pages)
195119
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Fermion hypernetted chain equations for the three-body distribution
Gary G. Hoffman
Published
22 October 2001
(21 pages)
195121
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Corrected local-density approximation band structures, linear-response dielectric functions, and quasiparticle lifetimes in noble metals
V. P. Zhukov, F. Aryasetiawan, E. V. Chulkov, I. G. de Gurtubay, and P. M. Echenique
Published
22 October 2001
(11 pages)
195122
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Quantum critical point in a periodic Anderson model
Peter van Dongen, Kingshuk Majumdar, Carey Huscroft, and Fu-Chun Zhang
Published
22 October 2001
(9 pages)
195123
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Charge redistribution and polarization energy of organic molecular crystals
E. V. Tsiper and Z. G. Soos
Published
22 October 2001
(12 pages)
195124
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Plane-wave DFT-LDA calculation of the electronic structure and absorption spectrum of copper
Andrea Marini, Giovanni Onida, and Rodolfo Del Sole
Published
22 October 2001
(9 pages)
195125
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Convergent recursive O(N) method for ab initio tight-binding calculations
T. Ozaki and K. Terakura
Published
25 October 2001
(4 pages)
195126
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Analytical results of the one-dimensional Hubbard model in the high-temperature limit
I. C. Charret, E. V. Corrêa Silva, S. M. de Souza, O. Rojas Santos, M. T. Thomaz, and A. T. Costa, Jr.
Published
29 October 2001
(8 pages)
195127
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Lifetimes and mean-free paths of hot electrons in the alkali metals
J. S. Dolado, V. M. Silkin, M. A. Cazalilla, A. Rubio, and P. M. Echenique
Published
29 October 2001
(7 pages)
195128
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Quantum Monte Carlo algorithm for nonlocal corrections to the dynamical mean-field approximation
M. Jarrell, Th. Maier, C. Huscroft, and S. Moukouri
Published
29 October 2001
(23 pages)
195130
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Fermi-surface geometry of the Cu–27.5 at. % Pd disordered alloy and short-range order
I. Matsumoto, H. Kawata, and N. Shiotani
Published
29 October 2001
(6 pages)
195132
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X-ray resonant scattering studies of orbital and charge ordering in Pr1-xCaxMnO3
M. v. Zimmermann, C. S. Nelson, J. P. Hill, Doon Gibbs, M. Blume, D. Casa, B. Keimer, Y. Murakami, C.-C. Kao, C. Venkataraman, T. Gog, Y. Tomioka, and Y. Tokura
Published
30 October 2001
(17 pages)
195133
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Efficient linearization of the augmented plane-wave method
Georg K. H. Madsen, Peter Blaha, Karlheinz Schwarz, Elisabeth Sjöstedt, and Lars Nordström
Published
30 October 2001
(9 pages)
195134
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Semiconductors I: bulk
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Microstructure of local defects in amorphous Si:H: A quantum chemical study
Thomas Krüger and Alexander F. Sax
Published
15 October 2001
(11 pages)
195201
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Hydrogen diffusion, complex formation, and dissociation in acceptor-doped silicon carbide
M. S. Janson, A. Hallén, M. K. Linnarsson, and B. G. Svensson
Published
15 October 2001
(12 pages)
195202
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Effects of aggregation on the excitation transfer in perylene-end-capped polyindenofluorene studied by time-resolved photoluminescence spectroscopy
L. M. Herz, C. Silva, R. H. Friend, R. T. Phillips, S. Setayesh, S. Becker, D. Marsitsky, and K. Müllen
Published
17 October 2001
(9 pages)
195203
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Hydrogen passivation of beryllium in p-type GaAs
C. Wang and Q.-M. Zhang
Published
17 October 2001
(5 pages)
195204
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Trapping and detrapping effects in high-quality chemical-vapor-deposition diamond films: Pulse shape analysis of diamond particle detectors
Marco Marinelli, E. Milani, A. Paoletti, A. Tucciarone, G. Verona-Rinati, M. Angelone, and M. Pillon
Published
19 October 2001
(8 pages)
195205
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Implantation sites of In, Cd, and Hf ions in diamond
K. Bharuth-Ram, A. Burchard, M. Deicher, H. Quintel, M. Restle, H. Hofsäss, and C. Ronning
Published
22 October 2001
(8 pages)
195207
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Binding energies of excitons trapped by ionized donors in semiconductors
A. S. dos Santos, Mauro Masili, and J. J. De Groote
Published
26 October 2001
(9 pages)
195210
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Annealing kinetics of vacancy-related defects in low-dose MeV self-ion-implanted n-type silicon
P. Pellegrino, P. Lévêque, J. Lalita, A. Hallén, C. Jagadish, and B. G. Svensson
Published
30 October 2001
(10 pages)
195211
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Semiconductors II: surfaces, interfaces, microstructures, and related topics
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Electron-hole separation studies near the ν=1 quantum Hall state in modulation-doped GaAs/(Al,Ga)As single heterojunctions in high magnetic fields
Yongmin Kim, F. M. Munteanu, C. H. Perry, D. G. Rickel, J. A. Simmons, L. N. Pfeiffer, and K. W. West
Published
12 October 2001
(6 pages)
195302
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Theoretical description of electronic properties of vertical gated quantum dots
S. Bednarek, B. Szafran, and J. Adamowski
Published
12 October 2001
(13 pages)
195303
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Influence of surface morphology on the Si(100) and (111) ionization potentials
C. Sgiarovello, N. Binggeli, and A. Baldereschi
Published
12 October 2001
(7 pages)
195305
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Nucleus-mediated spin-flip transitions in GaAs quantum dots
Sigurdur I. Erlingsson, Yuli V. Nazarov, and Vladimir I. Fal’ko
Published
12 October 2001
(4 pages)
195306
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Acoustoelectric pumping through a ballistic point contact in the presence of magnetic fields
O. Entin-Wohlman, Y. Levinson, and P. Wölfle
Published
15 October 2001
(7 pages)
195308
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Highly confined excitons in MgS/ZnSe quantum wells grown by molecular beam epitaxy
C. Bradford, C. B. O’Donnell, B. Urbaszek, C. Morhain, A. Balocchi, K. A. Prior, and B. C. Cavenett
Published
15 October 2001
(8 pages)
195309
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Quasibound states in type-II ZnTe/CdSe superlattices studied by modulation spectroscopies and photoconductivity at room temperature
S. M. Tseng, Y. F. Chen, Y. T. Cheng, C. W. Hsu, Y. S. Huang, and D. Y. Lin
Published
15 October 2001
(5 pages)
195311
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Structural and electronic properties of semiconductor binary microclusters AmBn (A,B=Si,Ge,C): A B3LYP-DFT study
Si-Dian Li, Zhi-Guang Zhao, Xiu-Feng Zhao, Hai-Shun Wu, and Zhi-Hao Jin
Published
15 October 2001
(5 pages)
195312
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Qubit cross talk and entanglement decay
J. S. Pratt and J. H. Eberly
Published
17 October 2001
(6 pages)
195314
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Nonlinear ac transport and local fields in quantum wires
A. Fechner, M. Sassetti, B. Kramer, and E. Galleani d’Agliano
Published
17 October 2001
(15 pages)
195315
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Experimental and theoretical investigation of interband and intersubband transitions in type-II InAs/AlSb superlattices
I. Prevot, B. Vinter, F. H. Julien, F. Fossard, and X. Marcadet
Published
19 October 2001
(6 pages)
195318
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Spin filtering and magnetoresistance in ballistic tunnel junctions
J. C. Egues, C. Gould, G. Richter, and L. W. Molenkamp
Published
19 October 2001
(5 pages)
195319
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Storage qubits and their potential implementation through a semiconductor double quantum dot
Ehoud Pazy, Irene D’Amico, Paolo Zanardi, and Fausto Rossi
Published
19 October 2001
(7 pages)
195320
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Effects of interwell coupling on plasmon modes in symmetric double square quantum well structures
Xin-Hai Liu, Xue-Hua Wang, and Ben-Yuan Gu
Published
25 October 2001
(9 pages)
195322
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Two interacting electrons in a vertical quantum dot with magnetic fields
J. T. Lin and T. F. Jiang
Published
26 October 2001
(6 pages)
195323
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Tip-induced local anodic oxidation on the native SiO2 layer of Si(111) using an atomic force microscope
Y.-R. Ma, C. Yu, Y.-D. Yao, Y. Liou, and S.-F. Lee
Published
26 October 2001
(5 pages)
195324
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Optical studies of strain effects in quantum wells grown on (311) and (100) GaAs substrates
S. L. S. Freire, J. E. T. Reis, L. A. Cury, F. M. Matinaga, J. F. Sampaio, and F. E. G. Guimarães
Published
26 October 2001
(6 pages)
195325
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Optical spectroscopy of charged excitons in single quantum dot photodiodes
M. Baier, F. Findeis, A. Zrenner, M. Bichler, and G. Abstreiter
Published
26 October 2001
(5 pages)
195326
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Single-particle path integral for composite fermions and the renormalization of the effective mass
Kasper Astrup Eriksen, Per Hedegård, and Henrik Bruus
Published
29 October 2001
(22 pages)
195327
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Ab initio study of the Bi-covered GaAs(111)B surface
R. H. Miwa and G. P. Srivastava
Published
29 October 2001
(7 pages)
195328
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Misfit relaxation of the AlN/Al2O3 (0001) interface
Th. Kehagias, Ph. Komninou, G. Nouet, P. Ruterana, and Th. Karakostas
Published
29 October 2001
(6 pages)
195329
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Electron confinement and optical enhancement in Si/SiO2 superlattices
Pierre Carrier, Laurent J. Lewis, and M. W. C. Dharma-wardana
Published
29 October 2001
(7 pages)
195330
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Space-charge limited current in the single-electron regime
Matthias W. Klein, David H. Dunlap, and George G. Malliaras
Published
30 October 2001
(14 pages)
195332
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Resonant photoelectromagnetic effect in semiconductors
Tomonori Okashita, Hiromi Kobori, and Tyuzi Ohyama
Published
30 October 2001
(10 pages)
195333
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Bound polaron in a spherical quantum dot: The all-coupling variational approach
Dmitriy V. Melnikov and W. Beall Fowler
Published
30 October 2001
(12 pages)
195335
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Surface physics, low-dimensional systems, and related topics
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Orientationally ordered island growth of higher fullerenes on Ag/Si(111)-(√3×√3)R30°
M. J. Butcher, J. W. Nolan, M. R. C. Hunt, P. H. Beton, L. Dunsch, P. Kuran, P. Georgi, and T. J. S. Dennis
Published
12 October 2001
(6 pages)
195401
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Renormalized molecular levels in a Sc3N@C80 molecular electronic device
Brian Larade, Jeremy Taylor, Q. R. Zheng, Hatem Mehrez, Pawel Pomorski, and Hong Guo
Published
15 October 2001
(5 pages)
195402
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Intrinsic and H-induced defects at Si-SiO2 interfaces
D. J. Chadi
Published
17 October 2001
(6 pages)
195403
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PDF (241 kB)]
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Surface embedded atom model of the electrolyte-metal interface
Michael I. Haftel and Mervine Rosen
Published
17 October 2001
(7 pages)
195405
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PDF (117 kB)]
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Surfactant effect of gallium during molecular-beam epitaxy of GaN on AlN (0001)
Guido Mula, C. Adelmann, S. Moehl, J. Oullier, and B. Daudin
Published
19 October 2001
(12 pages)
195406
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Single-particle and collective excitations of a two-dimensional electron gas at the Cs/InAs(110) surface
R. Biagi, Valdis Corradini, G. Bertoni, Carlo Mariani, U. del Pennino, and Maria Grazia Betti
Published
19 October 2001
(5 pages)
195407
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Azobenzene polymer surface deformation due to the gradient force of the optical near field of monodispersed polystyrene spheres
Taiji Ikawa, Takuya Mitsuoka, Makoto Hasegawa, Masaaki Tsuchimori, Osamu Watanabe, and Yoshimasa Kawata
Published
19 October 2001
(5 pages)
195408
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Empirical potential description of energetics and thermodynamic properties in expanded-volume silicon clathrates
Koji Moriguchi, Shinji Munetoh, Akira Shintani, and Teruaki Motooka
Published
25 October 2001
(15 pages)
195409
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Collective excitations in alkali metals on Al(111)
S. R. Barman, C. Stampfl, P. Häberle, W. Ibañez, Y. Q. Cai, and K. Horn
Published
26 October 2001
(13 pages)
195410
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Fermi surfaces of the two-dimensional surface states on vicinal Cu(111)
F. Baumberger, T. Greber, and J. Osterwalder
Published
26 October 2001
(8 pages)
195411
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Multiwalled carbon nanotube: Luttinger versus Fermi liquid
R. Tarkiainen, M. Ahlskog, J. Penttilä, L. Roschier, P. Hakonen, M. Paalanen, and E. Sonin
Published
26 October 2001
(4 pages)
195412
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Orientational dependence of current through molecular films
P. E. Kornilovitch and A. M. Bratkovsky
Published
26 October 2001
(4 pages)
195413
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Density-functional calculation of van der Waals forces for free-electron-like surfaces
Erika Hult, Per Hyldgaard, Jan Rossmeisl, and Bengt I. Lundqvist
Published
26 October 2001
(7 pages)
195414
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Phonon eigenvectors of chiral nanotubes
S. Reich, C. Thomsen, and P. Ordejón
Published
26 October 2001
(7 pages)
195416
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Measurements of the population partitions and state-selected flight-time distributions of keV ion-beam-sputtered metastable atoms
E. Vandeweert, P. Lievens, V. Philipsen, J. Bastiaansen, and R. E. Silverans
Published
29 October 2001
(12 pages)
195417
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Structural and electronic properties of carbon nanotube tapers
V. Meunier, M. Buongiorno Nardelli, C. Roland, and J. Bernholc
Published
29 October 2001
(7 pages)
195419
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Structure of aluminum atomic chains
Prasenjit Sen, S. Ciraci, A. Buldum, and Inder P. Batra
Published
30 October 2001
(6 pages)
195420
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