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PROLA » Phys. Rev. B » Volume 69 » Issue 19
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Physical Review B – 15 May 2004
Volume 69, Issue 19

BRIEF REPORTS

Electronic structure: wide-band, narrow-band, and strongly correlated systems

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Effect of atomic displacements on the ground state of α-TeO2
B. R. Sahu and Leonard Kleinman
Published 4 May 2004 (4 pages)
193101 [View PDF (123 kB)]
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Optical properties of the pyrochlore oxide Pb2Ru2O6.5
P. Zheng, N. L. Wang, J. L. Luo, R. Jin, and D. Mandrus
Published 7 May 2004 (4 pages)
193102 [View PDF (142 kB)]
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Sensitivity to termination morphology of light coupling in photonic-crystal waveguides
Lan-Lan Lin and Zhi-Yuan Li
Published 13 May 2004 (4 pages)
193103 [View PDF (161 kB)]
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Changes in the electronic structure of cerium due to variations in close packing
K. T. Moore, B. W. Chung, S. A. Morton, A. J. Schwartz, J. G. Tobin, S. Lazar, F. D. Tichelaar, H. W. Zandbergen, P. Söderlind, and G. van der Laan
Published 14 May 2004 (4 pages)
193104 [View PDF (426 kB)]
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Electronic structure of calcium hexaboride within the weighted density approximation
Zhigang Wu, D. J. Singh, and R. E. Cohen
Published 18 May 2004 (4 pages)
193105 [View PDF (42 kB)]

Semiconductors I: bulk

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Electrical conductivity of tellurium in the liquid state
D. A. Barlow
Published 10 May 2004 (4 pages)
193201 [View PDF (58 kB)]
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Optical and electrical properties of vanadium and erbium in 4H-SiC
D. Prezzi, T. A. G. Eberlein, J.-S. Filhol, R. Jones, M. J. Shaw, P. R. Briddon, and S. Öberg
Published 12 May 2004 (4 pages)
193202 [View PDF (60 kB)]
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Measurements of deviation from Einstein relation in PVK-based photorefractive polymers by photoelectromotive-force technique
S. Mansurova, S. Stepanov, V. Camacho-Pernas, R. Ramos-Garcia, F. Gallego-Gomez, E. Mecher, and K. Meerholz
Published 19 May 2004 (4 pages)
193203 [View PDF (152 kB)]
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Pulsed-illumination study of metastable defect creation time scales in hydrogenated amorphous silicon
Stephan Heck and Howard M. Branz
Published 26 May 2004 (4 pages)
193204 [View PDF (44 kB)]
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Optical band-edge shift of anatase Ti1-xCoxO2-δ
J. R. Simpson, H. D. Drew, S. R. Shinde, R. J. Choudhary, S. B. Ogale, and T. Venkatesan
Published 28 May 2004 (4 pages)
193205 [View PDF (247 kB)]

Semiconductors II: surfaces, interfaces, microstructures, and related topics

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Energetics of growth on the c(4×4) reconstructed GaAs(001) surface and antisite formation: An ab initio approach
Sándor Kunsági-Máté, Carsten Schür, Tamas Marek, and Horst P. Strunk
Published 4 May 2004 (4 pages)
193301 [View PDF (57 kB)]
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Resonant nature of phonon-induced damping of Rabi oscillations in quantum dots
P. Machnikowski and L. Jacak
Published 4 May 2004 (4 pages)
193302 [View PDF (117 kB)]
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NMR investigation of atomic ordering in AlxGa1-xAs thin films
C. Degen, M. Tomaselli, B. H. Meier, M. M. A. J. Voncken, and A. P. M Kentgens
Published 11 May 2004 (4 pages)
193303 [View PDF (323 kB)]
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Radiation-induced oscillatory magnetoresistance as a sensitive probe of the zero-field spin-splitting in high-mobility GaAs/AlxGa1-xAs devices
R. G. Mani, J. H. Smet, K. von Klitzing, V. Narayanamurti, W. B. Johnson, and V. Umansky
Published 21 May 2004 (4 pages)
193304 [View PDF (592 kB)]
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Resonant thermal transport in semiconductor barrier structures
P. Hyldgaard
Published 24 May 2004 (4 pages)
193305 [View PDF (118 kB)]
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Interaction-induced dephasing of Aharonov-Bohm oscillations
T. Ludwig and A. D. Mirlin
Published 25 May 2004 (4 pages)
193306 [View PDF (81 kB)]
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Self-assembly of quantum dots: Effect of neighbor islands on the wetting in coherent Stranski-Krastanov growth
José Emilio Prieto and Ivan Markov
Published 28 May 2004 (4 pages)
193307 [View PDF (48 kB)]

Surface physics, low-dimensional systems, and related topics

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Chiral symmetry of double-walled carbon nanotubes detected in first-principles optical absorption spectra
Xiaoping Yang, Jiangwei Chen, Hui Jiang, and Jinming Dong
Published 4 May 2004 (4 pages)
193401 [View PDF (218 kB)]
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Growth mechanisms in Ge/Si(111) heteroepitaxy with and without Bi as a surfactant
Neelima Paul, Hidehito Asaoka, Josef Mysliveček, and Bert Voigtländer
Published 13 May 2004 (4 pages)
193402 [View PDF (514 kB)]
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Tubular structures of GaS
Th. Köhler, Th. Frauenheim, Z. Hajnal, and G. Seifert
Published 13 May 2004 (4 pages)
193403 [View PDF (330 kB)]
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Nanowires for spintronics: A study of transition-metal elements of groups 8–10
Tashi Nautiyal, T. H. Rho, and Kwang S. Kim
Published 13 May 2004 (4 pages)
193404 [View PDF (60 kB)]
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Mg(0001) surface oxidation: A two-dimensional oxide phase
Elsebeth Schröder, Roman Fasel, and Adam Kiejna
Published 21 May 2004 (4 pages)
193405 [View PDF (315 kB)]
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Formation of carbon-gold-sulfide conductive granular molecules by a cooperation process of plasma CVD and sputtering
Md. Abul Kashem and Shinzo Morita
Published 24 May 2004 (4 pages)
193406 [View PDF (36 kB)]

ARTICLES

Electronic structure: wide-band, narrow-band, and strongly correlated systems

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Exchange and correlation as a functional of the local density of states
José M. Soler
Published 4 May 2004 (5 pages)
195101 [View PDF (64 kB)]
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Variational energy functionals tested on atoms
Nils Erik Dahlen and Ulf von Barth
Published 5 May 2004 (12 pages)
195102 [View PDF (120 kB)]
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Modeling the crystal-field splitting of the energy levels of Er3+ in charge-compensated sites in lithium niobate
John B. Gruber, Dhiraj K. Sardar, Raylon M. Yow, Bahram Zandi, and Edvard P. Kokanyan
Published 6 May 2004 (10 pages)
195103 [View PDF (118 kB)]
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Dependence of the optical and magneto-optical properties and electronic structures on the atomic order in Ni2MnIn Heusler alloys
Y. V. Kudryavtsev, Y. P. Lee, and J. Y. Rhee
Published 13 May 2004 (9 pages)
195104 [View PDF (820 kB)]
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Cluster-dynamical mean-field theory of the density-driven Mott transition in the one-dimensional Hubbard model
M. Capone, M. Civelli, S. S. Kancharla, C. Castellani, and G. Kotliar
Published 18 May 2004 (5 pages)
195105 [View PDF (350 kB)]
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Electronic properties of alkali-metal loaded zeolites: Supercrystal Mott insulators
Ryotaro Arita, Takashi Miyake, Takao Kotani, Mark van Schilfgaarde, Takashi Oka, Kazuhiko Kuroki, Yasuo Nozue, and Hideo Aoki
Published 20 May 2004 (5 pages)
195106 [View PDF (815 kB)]
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Fractal noise in quantum ballistic and diffusive lattice systems
E. J. Amanatidis, D. E. Katsanos, and S. N. Evangelou
Published 21 May 2004 (8 pages)
195107 [View PDF (440 kB)]
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Analytical and numerical studies of wire-mesh metallic photonic crystals
A. L. Pokrovsky
Published 24 May 2004 (7 pages)
195108 [View PDF (540 kB)]
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Kondo effect in systems with dynamical symmetries
T. Kuzmenko, K. Kikoin, and Y. Avishai
Published 25 May 2004 (24 pages)
195109 [View PDF (429 kB)]
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Embedding method for conductance of DNA
O. R. Davies and J. E. Inglesfield
Published 26 May 2004 (13 pages)
195110 [View PDF (167 kB)]
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Nature of lossy Bloch states in polaritonic photonic crystals
Kerwyn Casey Huang, Elefterios Lidorikis, Xunya Jiang, John D. Joannopoulos, Keith A. Nelson, Peter Bienstman, and Shanhui Fan
Published 27 May 2004 (10 pages)
195111 [View PDF (1,455 kB)]
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Noncommuting limits and effective properties for oblique propagation of electromagnetic waves through an array of aligned fibres
C. Poulton, S. Guenneau, and A. B. Movchan
Published 27 May 2004 (8 pages)
195112 [View PDF (152 kB)]
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Numerical atomic basis orbitals from H to Kr
T. Ozaki and H. Kino
Published 28 May 2004 (19 pages)
195113 [View PDF (415 kB)]
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Optical investigation of the charge-density-wave phase transitions in NbSe3
A. Perucchi, L. Degiorgi, and R. E. Thorne
Published 28 May 2004 (5 pages)
195114 [View PDF (74 kB)]
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Charge-density-wave instabilities driven by multiple umklapp scattering
Peter Schmitteckert and Ralph Werner
Published 28 May 2004 (5 pages)
195115 [View PDF (512 kB)]
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Evolution of the electronic structure from electron-doped to hole-doped states in the two-dimensional Mott-Hubbard system La1.17-xPbxVS3.17
A. Ino, T. Okane, S.-I. Fujimori, A. Fujimori, T. Mizokawa, Y. Yasui, T. Nishikawa, and M. Sato
Published 28 May 2004 (8 pages)
195116 [View PDF (409 kB)]

Semiconductors I: bulk

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Urbach tail, disorder, and localized modes in ternary semiconductors
Ismardo Bonalde, Ernesto Medina, Miguel Rodríguez, S. M. Wasim, G. Marín, C. Rincón, A. Rincón, and C. Torres
Published 11 May 2004 (5 pages)
195201 [View PDF (59 kB)]
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Spectra and energy levels of Gd3+(4f7) in AlN
John B. Gruber, Ulrich Vetter, Hans Hofsäss, Bahram Zandi, and Michael F. Reid
Published 19 May 2004 (7 pages)
195202 [View PDF (101 kB)]
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On-site Coulomb interaction and the magnetism of (GaMn)N and (GaMn)As
L. M. Sandratskii, P. Bruno, and J. Kudrnovský
Published 21 May 2004 (7 pages)
195203 [View PDF (1,048 kB)]
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First-principles study of neutral oxygen vacancies in amorphous silica and germania
Tomoyuki Tamura, Guang-Hong Lu, Ryoichi Yamamoto, and Masanori Kohyama
Published 24 May 2004 (10 pages)
195204 [View PDF (296 kB)]
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Anomalous capture and emission from internal surfaces of semiconductor voids: Nanopores in SiC
D. C. Look, Z-Q. Fang, S. Soloviev, T. S. Sudarshan, and J. J. Boeckl
Published 26 May 2004 (4 pages)
195205 [View PDF (148 kB)]
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H2O and O2 molecules in amorphous SiO2: Defect formation and annihilation mechanisms
T. Bakos, S. N. Rashkeev, and S. T. Pantelides
Published 26 May 2004 (9 pages)
195206 [View PDF (493 kB)]
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Reverse Monte Carlo modeling of amorphous silicon
Parthapratim Biswas, Raymond Atta-Fynn, and D. A. Drabold
Published 28 May 2004 (5 pages)
195207 [View PDF (55 kB)]

Semiconductors II: surfaces, interfaces, microstructures, and related topics

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Resonance approximation and charge loading and unloading in adiabatic quantum pumping
Vyacheslavs Kashcheyevs, Amnon Aharony, and Ora Entin-Wohlman
Published 6 May 2004 (9 pages)
195301 [View PDF (246 kB)]
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Plasmon attenuation and optical conductivity of a two-dimensional electron gas
E. G. Mishchenko, M. Yu. Reizer, and L. I. Glazman
Published 13 May 2004 (8 pages)
195302 [View PDF (96 kB)]
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STM characterization of the Si-P heterodimer
N. J. Curson, S. R. Schofield, M. Y. Simmons, L. Oberbeck, J. L. O’Brien, and R. G. Clark
Published 13 May 2004 (5 pages)
195303 [View PDF (697 kB)]
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Dynamical screening effects on dark current in a quantum-well infrared photodetector
S. Panda, B. K. Panda, and S. G. Mishra
Published 13 May 2004 (7 pages)
195304 [View PDF (81 kB)]
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Metallicity and its low-temperature behavior in dilute two-dimensional carrier systems
S. Das Sarma and E. H. Hwang
Published 18 May 2004 (15 pages)
195305 [View PDF (186 kB)]
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Thermopower of a p-type Si/Si1-xGex heterostructure
C. Possanzini, R. Fletcher, M. Tsaousidou, P. T. Coleridge, R. L. Williams, Y. Feng, and J. C. Maan
Published 18 May 2004 (9 pages)
195306 [View PDF (116 kB)]
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Strain determination in multilayers by complementary anomalous x-ray diffraction
T. U. Schülli, R. T. Lechner, J. Stangl, G. Springholz, G. Bauer, M. Sztucki, and T. H. Metzger
Published 20 May 2004 (8 pages)
195307 [View PDF (153 kB)]
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Coherent control of electric currents in superlattices and molecular wires: Effect of relaxation
Kirill A. Pronin and Andre D. Bandrauk
Published 21 May 2004 (7 pages)
195308 [View PDF (510 kB)]
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Excitons in Si nanocrystals: Confinement and migration effects
Johannes Heitmann, Frank Müller, Lixin Yi, Margit Zacharias, Dmitri Kovalev, and Frank Eichhorn
Published 21 May 2004 (7 pages)
195309 [View PDF (83 kB)]
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Numerical analysis of radio-frequency single-electron transistor operation
Valentin O. Turin and Alexander N. Korotkov
Published 21 May 2004 (13 pages)
195310 [View PDF (230 kB)]
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Structural properties of a thallium-induced Si(111)-1×1 surface
N. D. Kim, C. G. Hwang, J. W. Chung, T. C. Kim, H. J. Kim, and D. Y. Noh
Published 25 May 2004 (5 pages)
195311 [View PDF (214 kB)]
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Simulation of Ge/Si intermixing during heteroepitaxy
Richard J. Wagner and Erdogan Gulari
Published 25 May 2004 (6 pages)
195312 [View PDF (708 kB)]
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Effect of surface curvature on magnetic moment and persistent currents in two-dimensional quantum rings and dots
D. V. Bulaev, V. A. Geyler, and V. A. Margulis
Published 25 May 2004 (9 pages)
195313 [View PDF (246 kB)]
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Hall effect in the ferromagnet UGe2
V. H. Tran, S. Paschen, R. Troć, M. Baenitz, and F. Steglich
Published 26 May 2004 (6 pages)
195314 [View PDF (267 kB)]
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Molecular spintronics: Coherent spin transfer in coupled quantum dots
Florian Meier, Veronica Cerletti, Oliver Gywat, Daniel Loss, and D. D. Awschalom
Published 26 May 2004 (12 pages)
195315 [View PDF (326 kB)]
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Thermal conductivity modeling of periodic two-dimensional nanocomposites
Ronggui Yang and Gang Chen
Published 27 May 2004 (10 pages)
195316 [View PDF (1,013 kB)]
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Charge-state dependence of InAs quantum-dot emission energies
S. Schulz, S. Schnüll, Ch. Heyn, and W. Hansen
Published 28 May 2004 (7 pages)
195317 [View PDF (144 kB)]
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Time-dependent partition-free approach in resonant tunneling systems
Gianluca Stefanucci and Carl-Olof Almbladh
Published 28 May 2004 (17 pages)
195318 [View PDF (366 kB)]

Surface physics, low-dimensional systems, and related topics

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Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces
N. Bonini, A. Kokalj, A. Dal Corso, S. de Gironcoli, and S. Baroni
Published 3 May 2004 (12 pages)
195401 [View PDF (1,488 kB)]
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Effect of molecular wires attached to benzene: Local density-of-states study
R. Kucharczyk and S. G. Davison
Published 3 May 2004 (8 pages)
195402 [View PDF (114 kB)]
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Ab initio calculations of adsorbate-induced stress on Ni(100)
Sampyo Hong, Abdelkader Kara, Talat S. Rahman, Rolf Heid, and Klaus Peter Bohnen
Published 5 May 2004 (8 pages)
195403 [View PDF (199 kB)]
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Water adsorption on metal surfaces: A general picture from density functional theory studies
Sheng Meng, E. G. Wang, and Shiwu Gao
Published 5 May 2004 (13 pages)
195404 [View PDF (908 kB)]
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(3×1)-Br/Pt(110) structure and the charge-density-wave-assisted c(2×2) to (3×1) phase transition
C. Deisl, K. Swamy, N. Memmel, E. Bertel, C. Franchini, G. Schneider, J. Redinger, S. Walter, L. Hammer, and K. Heinz
Published 6 May 2004 (13 pages)
195405 [View PDF (1,212 kB)]
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Transport in ropes of carbon nanotubes: Contact barriers and Luttinger liquid theory
Th. Hunger, B. Lengeler, and J. Appenzeller
Published 7 May 2004 (4 pages)
195406 [View PDF (229 kB)]
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Effect of surface stress on Ni segregation in (110) NiAl thin films
J. A. Brown and Y. Mishin
Published 11 May 2004 (6 pages)
195407 [View PDF (83 kB)]
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Lattice dilation near a single hydrogen molecule in an interstitial channel within a nanotube bundle
M. Mercedes Calbi, Ari Mizel, and Milton W. Cole
Published 14 May 2004 (4 pages)
195408 [View PDF (258 kB)]
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Ab initio thermodynamics of oxide surfaces: O2 on Fe2O3(0001)
Wolfgang Bergermayer, Hannes Schweiger, and Erich Wimmer
Published 20 May 2004 (12 pages)
195409 [View PDF (756 kB)]
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Adaptive quantum design of atomic clusters
Jason Thalken, Yu Chen, A. F. J. Levi, and Stephan Haas
Published 20 May 2004 (8 pages)
195410 [View PDF (522 kB)]
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First-principles study of the effect of charge on the stability of a diamond nanocluster surface
Noejung Park, Sungil Park, Nong-Moon Hwang, Jisoon Ihm, Syogo Tejima, and Hisashi Nakamura
Published 20 May 2004 (5 pages)
195411 [View PDF (534 kB)]
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Gold adatoms and dimers on relaxed graphite surfaces
Guan Ming Wang, Joseph J. BelBruno, Steven D. Kenny, and Roger Smith
Published 21 May 2004 (7 pages)
195412 [View PDF (400 kB)]
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Water dissociation on a defective MgO(100) surface: Role of divacancies
Benedicte Ealet, Jacek Goniakowski, and Fabio Finocchi
Published 21 May 2004 (9 pages)
195413 [View PDF (654 kB)]
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Imperfect wetting of vapor-deposited thin films: Monte Carlo simulations and nucleation model
Jacques Dalla Torre, George H. Gilmer, and Mehdi Djafari Rouhani
Published 25 May 2004 (6 pages)
195414 [View PDF (332 kB)]
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Structural determination of iodine localization in single-walled carbon nanotube bundles by diffraction methods
N. Bendiab, R. Almairac, S. Rols, R. Aznar, J.-L. Sauvajol, and I. Mirebeau
Published 28 May 2004 (8 pages)
195415 [View PDF (97 kB)]
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Ultrafast electron-electron scattering and energy exchanges in noble-metal nanoparticles
C. Voisin, D. Christofilos, P. A. Loukakos, N. Del Fatti, F. Vallée, J. Lermé, M. Gaudry, E. Cottancin, M. Pellarin, and M. Broyer
Published 28 May 2004 (13 pages)
195416 [View PDF (171 kB)]

ERRATA

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Erratum: First-principles approach to the electron-phonon interaction [Phys. Rev. B 69, 115110 (2004)]
Robert van Leeuwen
Published 7 May 2004 (1 page)
199901(E) [View PDF (11 kB)]
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Erratum: Accurate ground-state phase diagram of the one-dimensional extended-Hubbard model at half filling [Phys. Rev. B 68, 153101 (2003)]
G. P. Zhang
Published 19 May 2004 (1 page)
199902(E) [View PDF (22 kB)]
 
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