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THIRD SERIES, VOLUME 73, NUMBER 3 CONTENTS JANUARY 2006-15(I)

Physical Review B Editorial Policies and Practices ...... iii Physical Review B Information for Contributors ...... vii Subject Categories for Physical Review B ...... x

BRIEF REPORTS

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

Thermodynamic and transport properties of YTe3, LaTe3, and CeTe3 (4 pages) ...... 033101 N. Ru and I. R. Fisher

X-ray anomalous scattering investigation of BaVS3 (4 pages) ...... 033102 Sébastien Fagot, Pascale Foury-Leylekian, Sylvain Ravy, Jean-Paul Pouget, Émilio Lorenzo, Yves Joly, Martha Greenblatt, Maxim V. Lobanov, and Guerman Popov Interaction of polarized light with three-dimensional opal-based photonic (4 pages) ...... 033103 A. V. Baryshev, A. B. Khanikaev, H. Uchida, M. Inoue, and M. F. Limonov Low-threshold and high-efficiency optical parametric oscillator using a one-dimensional single-defect photonic with quadratic nonlinearity (4 pages) ...... 033104 Fang-Fang Ren, Rui Li, Chen Cheng, Jing Chen, Ya-Xian Fan, Jianping Ding, and Hui-Tian Wang T duality in supersymmetric theory of disordered quantum systems (4 pages) ...... 033105 A. Ossipov and V. E. Kravtsov Stability of the photonic band gap in the presence of disorder (4 pages) ...... 033106 M. A. Kaliteevski, D. M. Beggs, S. Brand, R. A. Abram, and V. V. Nikolaev ͑ ͒ Interference effects due to commensurate trajectories and topological crossovers in TMTSF 2ClO4 (4 pages) ...... 033107 H. I. Ha, A. G. Lebed, and M. J. Naughton Subwavelength microwave imaging using an array of parallel conducting wires as a lens (4 pages) ...... 033108 Pavel A. Belov, Yang Hao, and Sunil Sudhakaran Oxidation and aging in U and Pu probed by spin-orbit sum rule analysis: Indications for covalent metal-oxide bonds (4 pages) ...... 033109 K. T. Moore, G. van der Laan, R. G. Haire, M. A. Wall, and A. J. Schwartz

Semiconductors I: bulk Manganese on various lattice sites in ͑Ga,Mn͒As investigated using electron paramagnetic resonance (4 pages) ...... 033201 T. Weiers

Copyright 2006 by The American Physical Society

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

High-resolution photoemission study of the temperature-dependent c-f hybridization gap in the Kondo semiconductor YbB12 (4 pages) ...... 033202 Y. Takeda, M. Arita, M. Higashiguchi, K. Shimada, H. Namatame, M. Taniguchi, F. Iga, and T. Takabatake Half-metallic in Cu-doped ZnO: Density functional calculations (4 pages) ...... 033203 Lin-Hui Ye, A. J. Freeman, and B. Delley Electrical characterization of metastable carbon clusters in SiC: A theoretical study (4 pages) ...... 033204 A. Gali, N. T. Son, and E. Janzén

Semiconductors II: surfaces, interfaces, microstructures, and related topics Atomic structure of the Ga nanoclusters on Si͑111͒-͑7ϫ7͒ (4 pages) ...... 033301 Akihiro Ohtake Roughness-induced energetic disorder at the metal/organic interface (4 pages) ...... 033302 S. V. Novikov and G. G. Malliaras ͑ ͒ Multiple adsorption configurations of NH3 molecules on the Si 001 surface (4 pages) ...... 033303 Opti Naguan Chung, Hanchul Kim, Sukmin Chung, and Ja-Yong Koo Strong coupling of light with A and B excitons in GaN microcavities grown on silicon (4 pages) ...... 033304 I. R. Sellers, F. Semond, M. Leroux, J. Massies, P. Disseix, A-L. Henneghien, J. Leymarie, and A. Vasson Coherent control of lattice deformations in quantum wires by optical self-trapping (4 pages) ...... 033305 M. V. Katkov and C. Piermarocchi Magnetic-field-induced reduction of the exciton polarization splitting in InAs quantum dots (4 pages) ...... 033306 R. M. Stevenson, R. J. Young, P. See, D. G. Gevaux, K. Cooper, P. Atkinson, I. Farrer, D. A. Ritchie, and A. J. Shields Modified Raman confinement model for Si nanocrystals (4 pages) ...... 033307 Giuseppe Faraci, Santo Gibilisco, Paola Russo, Agata R. Pennisi, and Salvo La Rosa Energetic disorder at the metal-organic semiconductor interface (4 pages) ...... 033308 S. V. Novikov and G. G. Malliaras Exciton g factor of type-II InP/GaAs single quantum dots (4 pages) ...... 033309 M. P. F. de Godoy, P. F. Gomes, M. K. K. Nakaema, F. Iikawa, M. J. S. P. Brasil, R. A. Caetano, J. R. Madureira, J. R. R. Bortoleto, M. A. Cotta, E. Ribeiro, G. E. Marques, and A. C. R. Bittencourt Intrinsic Curie temperature bistability in ferromagnetic semiconductor resonant tunneling diodes (4 pages) ...... 033310 Swaroop Ganguly, A. H. MacDonald, L. F. Register, and S. Banerjee

Formation of electric-field domains in GaAs/AlxGa1−xAs quantum cascade laser structures (4 pages) ...... 033311 S. L. Lu, L. Schrottke, S. W. Teitsworth, R. Hey, and H. T. Grahn Counting statistics and decoherence in coupled quantum dots (4 pages) ...... 033312 G. Kießlich, P. Samuelsson, A. Wacker, and E. Schöll Tunneling resonances in quantum dots: Coulomb interaction modifies the width (4 pages) ...... 033313 Jens Könemann, Björn Kubala, Jürgen König, and Rolf J. Haug Spin accumulation in a ballistic Rashba bar (4 pages) ...... 033314 J. Yao and Z. Q. Yang

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

Room-temperature polariton luminescence from a bulk GaN microcavity (4 pages) ...... 033315 R. Butté, G. Christmann, E. Feltin, J.-F. Carlin, M. Mosca, M. Ilegems, and N. Grandjean Intrinsic oscillation of spin accumulation induced by Rashba spin-orbital interaction (4 pages) ...... 033316 J. Wang, K. S. Chan, and D. Y. Xing Quantum interference control of electrical currents and THz radiation in optically excited zinc-blende quantum wells (4 pages) ...... 033317 Jacob B. Khurgin Modulation of the Curie temperature in ferromagnetic/ferroelectric hybrid double quantum wells (4 pages) ...... 033318 N. Kim, H. Kim, J. W. Kim, S. J. Lee, and T. W. Kang Nonlinear dynamics of a dense two-dimensional dipolar exciton (4 pages) ...... 033319 Ronen Rapaport, Gang Chen, and Steven H. Simon

Surface physics, nanoscale physics, low-dimensional systems Analysis of transmission through small apertures in conducting films (4 pages) ...... 033401 K. J. Webb and J. Li Local spin order in one-dimensional Kondo lattice model for band filling n=1/3 (4 pages) ...... 033402 Yuguang Chen and Hong Chen

Unconventional Hall effect in oriented Ca3Co4O9 thin films (4 pages) ...... 033403 H. W. Eng, P. Limelette, W. Prellier, Ch. Simon, and R. Frésard Self-avoiding random walks and the two-dimensional localization theorem (4 pages) ...... 033404 Vipin Srivastava and K. Kremer Inherent features in the growth of perylene crystals on an oil substrate (4 pages) ...... 033405 Xiangdong Liu and Matthias Wuttig Long jumps in one-dimensional surface self-diffusion: Rebound transitions (4 pages) ...... 033406 Grazyna Antczak CO adsorption on Ce-Pt͑111͒ studied with LEED, XPS, and temperature programmed desorption (4 pages) ...... 033407 B. Vermang, M. Juel, and S. Raaen Causality of surface plasmon polariton emission processes (4 pages) ...... 033408 G. Isfort, K. Schierbaum, and D. Zerulla Negative differential conductance and magnetoresistance oscillations due to spin accumulation in ferromagnetic double-island devices (4 pages) ...... 033409 Ireneusz Weymann and Józef Barnaś

ARTICLES

Electronic structure: wide-band, narrow-band, and strongly correlated systems Free-electron generation in laser-irradiated dielectrics (6 pages) ...... 035101 B. Rethfeld Effective Hamiltonian near insulator-superfluid transitions (5 pages) ...... 035102 Fei Zhou

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

Modeling the momentum distributions of annihilating electron-positron pairs in (12 pages) ...... 035103 I. Makkonen, M. Hakala, and M. J. Puska Intermittent polaron dynamics: Born-Oppenheimer approximation out of equilibrium (6 pages) ...... 035104 D. Mozyrsky, M. B. Hastings, and I. Martin Coupled-mode theory for periodic side-coupled microcavity and photonic crystal structures (12 pages) ...... 035105 Philip Chak, Suresh Pereira, and J. E. Sipe On-top pair-correlation function in the homogeneous electron (8 pages) ...... 035106 Zhixin Qian ␤ ͑ ͒ First-principles study of the pressure effects on Ј- BEDT-TTF 2AuCl2 (7 pages) ...... 035107 Tsuyoshi Miyazaki and Hiori Kino Localization and delocalization of carriers in quasi-one-dimensional halogen-bridged Ni compounds: A hindrance to transitions to metal in a Mott-insulator chain (11 pages) ...... 035108 Kaoru Iwano

Electronic structure and vibrational spectra of C2B10-based clusters and films (9 pages) ...... 035109 Kyungwha Park, M. R. Pederson, L. L. Boyer, W. N. Mei, R. F. Sabirianov, X. C. Zeng, S. Bulusu, Seamus Curran, James Dewald, Ellen Day, Shireen Adenwalla, Manuel Diaz, Luis G. Rosa, S. Balaz, and P. A. Dowben

Spectroscopic ellipsometry study of optical anisotropy in Gd5Si2Ge2 and comparison with reflectance difference spectra (5 pages) ...... 035110 J. M. Park, D. W. Lynch, S. J. Lee, D. L. Schlagel, T. A. Lograsso, A. O. Tsokol, J. E. Snyder, and D. C. Jiles

Resonant inelastic x-ray scattering of MnO: L2,3 edge measurements and assessment of their interpretation (4 pages) ...... 035111 G. Ghiringhelli, M. Matsubara, C. Dallera, F. Fracassi, A. Tagliaferri, N. B. Brookes, A. Kotani, and L. Braicovich Coulomb disorder in periodic systems: Effect of unscreened charged impurities (11 pages) ...... 035112 Edmond Orignac, Alberto Rosso, R. Chitra, and Thierry Giamarchi Statistical theory of transport by strongly interacting lattice fermions (7 pages) ...... 035113 Subroto Mukerjee, Vadim Oganesyan, and David Huse Metal-nonmetal transition and colossal negative magnetoresistance in the gadolinium hydride halides ͑ Ͻ Ͻ ͒ GdIHx 0.67 x 1 (12 pages) ...... 035114 Mikhail Ryazanov, Reinhard K. Kremer, Arndt Simon, and Hansjürgen Mattausch Layer-multiple-scattering method for photonic crystals of nonspherical particles (10 pages) ...... 035115 G. Gantzounis and N. Stefanou

Electronic structure and magnetic coupling in FeSbO4: A DFT study using hybrid functionals and GGA+U methods (9 pages) ...... 035116 Ricardo Grau-Crespo, Furio Corà, Alexey A. Sokol, Nora H. de Leeuw, and C. Richard A. Catlow Calculation of dynamical and many-body observables for spin-fermion models using the polynomial expansion method (8 pages) ...... 035117 G. Alvarez and T. C. Schulthess Ferromagnetism in a periodic Anderson-like organic polymer at half-filling and zero temperature (7 pages) ...... 035118 W. Z. Wang

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

3+ Thermal hysteresis in the luminescence of Yb in Sr0.6Ba0.4Nb2O6 (8 pages) ...... 035119 M. O. Ramirez, L. E. Bausá, A. Speghini, M. Bettinelli, L. Ivleva, and J. García Solé Electronic structure calculations of strongly correlated electron systems by the dynamical mean-field method (21 pages) ...... 035120 V. S. Oudovenko, G. Pálsson, K. Haule, G. Kotliar, and S. Y. Savrasov Spectral functions for strongly correlated 5f (9 pages) ...... 035121 F. Pollmann and G. Zwicknagl Quantum ether: Photons and electrons from a rotor model (10 pages) ...... 035122 Michael Levin and Xiao-Gang Wen Generalized equation of motion for orbital dynamics in the presence of current (5 pages) ...... 035123 Chyh-Hong Chern and Naoto Nagaosa Electronic properties of disordered corner-sharing tetrahedral lattices (7 pages) ...... 035124 F. Fazileh, X. Chen, R. J. Gooding, and K. Tabunshchyk ͑ ͒ NMR study of the ternary carbides M2AlC M =Ti,V,Cr (5 pages) ...... 035125 C. S. Lue, J. Y. Lin, and B. X. Xie

Electronic, transport, and magnetic properties of CaxCo4Sb12 partially filled skutterudites (12 pages) ...... 035126 M. Puyet, B. Lenoir, A. Dauscher, P. Pécheur, C. Bellouard, J. Tobola, and J. Hejtmanek Evolution of the electronic structure across the filling-control and bandwidth-control metal-insulator transitions in pyrochlore-type Ru oxides (6 pages) ...... 035127 J. Okamoto, S.-I. Fujimori, T. Okane, A. Fujimori, M. Abbate, S. Yoshii, and M. Sato Analytic structure of Bloch functions for linear molecular chains (12 pages) ...... 035128 E. Prodan

Anomalous spin dynamics in the charge-ordered two-electron doped manganite Ca0.9Ce0.1MnO3: Possibility of a spin-liquid phase (5 pages) ...... 035129 Ajay Sharma, S. Sarangi, and S. V. Bhat

Semiconductors I: bulk

Understanding ferromagnetism in Co-doped TiO2 anatase from first principles (7 pages) ...... 035201 Rebecca Janisch and Nicola A. Spaldin

Acoustic and optical phonon scattering of the 1S yellow orthoexciton in Cu2O (7 pages) ...... 035202 G. Baldassarri Höger von Högersthal, D. Fröhlich, M. Kulka, Th. Auer, M. Bayer, and H. Stolz Current and voltage noise spectrum due to generation and recombination fluctuations in semiconductors (8 pages) ...... 035203 Fabio E. Zocchi Electron wave functions in diamond and zinc-blende semiconductors (6 pages) ...... 035204 D. L. Boiko, P. Féron, and P. Besnard Interplay of exciton and electron-hole recombination on the photoluminescence dynamics in bulk GaAs (7 pages) ...... 035205 A. Amo, M. D. Martín, L. Viña, A. I. Toropov, and K. S. Zhuravlev Three-dimensional model of electrostatically induced pattern formation in thin polymer films (7 pages) ...... 035206 Dongchoul Kim and Wei Lu

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͑ ͒ First-principles study of deformation behavior and structural defects in CuInSe2 and Cu In,Ga Se2 (6 pages) ...... 035207 N. I. Medvedeva, E. V. Shalaeva, M. V. Kuznetsov, and M. V. Yakushev Effect of uniaxial stress on vibrational modes of in ZnO (5 pages) ...... 035208 E. V. Lavrov and J. Weber Ab initio simulation of polyamorphic in hydrogenated silicon (5 pages) ...... 035209 Murat Durandurdu Codoping as a measure against donor deactivation in Si: Ab initio calculations (8 pages) ...... 035210 D. Christoph Mueller and Wolfgang Fichtner Symmetrized-basis LASTO calculations of defects in CdTe and ZnTe (11 pages) ...... 035211 Yia-Chung Chang, R. B. James, and J. W. Davenport Transition metal impurities in Ge: Chemical trends and codoping studied by electronic structure calculations (10 pages) ...... 035212 A. Continenza, G. Profeta, and S. Picozzi Relaxation in ZnSe:Cr2+ investigated with longitudinal ultrasonic waves (6 pages) ...... 035213 V. V. Gudkov, A. T. Lonchakov, V. I. Sokolov, and I. V. Zhevstovskikh

Effect of the s,p-d exchange interaction on the excitons in Zn1−xCoxO epilayers (13 pages) ...... 035214 W. Pacuski, D. Ferrand, J. Cibert, C. Deparis, J. A. Gaj, P. Kossacki, and C. Morhain Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant (11 pages) ...... 035215 C. W. M. Castleton, A. Höglund, and S. Mirbt Primary photoexcitations and their interconversion in oligophenylenevinylene nanocrystals: Role of excess energy studied with sub-30 femtosecond resolution (7 pages) ...... 035216 L. Lüer, C. Manzoni, H.-J. Egelhaaf, G. Cerullo, D. Oelkrug, and G. Lanzani Double-resonant Raman processes in germanium: Group theory and ab initio calculations (9 pages) ...... 035217 M. Mohr, M. Machón, J. Maultzsch, and C. Thomsen Instabilities and insulator-metal transitions in half-doped manganites induced by magnetic-field and doping (20 pages) ...... 035218 O. Cépas, H. R. Krishnamurthy, and T. V. Ramakrishnan

Semiconductors II: surfaces, interfaces, microstructures, and related topics Optical phonon instability induced by high-speed electron transport in nanoscale semiconductor structures (9 pages) ...... 035301 V. A. Kochelap, A. A. Klimov, and K. W. Kim Back action of nonequilibrium phonons on the optically induced dynamics in semiconductor quantum dots (9 pages) ...... 035302 A. Krügel, V. M. Axt, and T. Kuhn Spin transfer experiments on ͑Ga,Mn͒As/͑In,Ga͒As/͑Ga,Mn͒As tunnel junctions (4 pages) ...... 035303 M. Elsen, O. Boulle, J.-M. George, H. Jaffrès, R. Mattana, V. Cros, A. Fert, A. Lemaitre, R. Giraud, and G. Faini Optical switching of one-dimensional photonic band gaps and coherent generation of dark and bright optical lattices in quantum wells (8 pages) ...... 035304 S. M. Sadeghi, W. Li, X. Li, and W.-P. Huang

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

From independent particles to Wigner localization in quantum dots: The effect of the dielectric environment (4 pages) ...... 035305 J. L. Movilla, J. Planelles, and W. Jaskólski Direct energy transfer from photocarriers to Mn- system in II-VI diluted-magnetic-semiconductor quantum wells (8 pages) ...... 035306 M. K. Kneip, D. R. Yakovlev, M. Bayer, A. A. Maksimov, I. I. Tartakovskii, D. Keller, W. Ossau, L. W. Molenkamp, and A. Waag Connecting wave functions at a three-leg junction of one-dimensional channels (6 pages) ...... 035307 Khee-Kyun Voo, Shu-Chuan Chen, Chi-Shung Tang, and Chon-Saar Chu MnAs/GaAs/MnAs: Morphology and interfacial properties (8 pages) ...... 035308 V. Garcia, M. Marangolo, M. Eddrief, H. Jaffrès, J.-M. George, and V. H. Etgens Electron transport through an interacting region: The case of a nonorthogonal basis set (8 pages) ...... 035309 Kristian S. Thygesen Band gap of the Ge͑111͒c͑2ϫ8͒ surface by scanning tunneling spectroscopy (13 pages) ...... 035310 R. M. Feenstra, J. Y. Lee, M. H. Kang, G. Meyer, and K. H. Rieder Atomic structure of Si nanowires on Ag͑110͒: A density-functional theory study (8 pages) ...... 035311 Guo-min He Mapping the effective mass of electrons in III-V semiconductor quantum confined structures (6 pages) ...... 035312 M. H. Gass, A. J. Papworth, R. Beanland, T. J. Bullough, and P. R. Chalker Electron scattering from a mesoscopic disk in a Rashba system (5 pages) ...... 035313 Jr-Yu Yeh, Ming-Che Chang, and Chung-Yu Mou Site of Mn in Mn ␦-doped GaAs: X-ray absorption spectroscopy (6 pages) ...... 035314 F. d’Acapito, G. Smolentsev, F. Boscherini, M. Piccin, G. Bais, S. Rubini, F. Martelli, and A. Franciosi Effects of Bose-Einstein of exciton polaritons in microcavities on the polarization of emitted light (11 pages) ...... 035315 Fabrice P. Laussy, Ivan A. Shelykh, Guillaume Malpuech, and Alexey Kavokin Analysis of the photon indistinguishability in incoherently excited quantum dots (6 pages) ...... 035316 F. Troiani, J. I. Perea, and C. Tejedor Ga-rich GaAs͑001͒ surface from ab initio calculations: Atomic structure of the ͑4ϫ6͒ and ͑6ϫ6͒ reconstructions (6 pages) ...... 035317 K. Seino, W. G. Schmidt, and A. Ohtake Coherent propagation of polaritons in the nonlinear optical regime (15 pages) ...... 035318 S. Schumacher, G. Czycholl, and F. Jahnke Spin polarization in open quantum dots (4 pages) ...... 035319 M. Evaldsson and I. V. Zozoulenko Quantum measurement of an electron in a disordered potential: Delocalization versus measurement voltages (5 pages) ...... 035320 Xue-Ning Hu and Xin-Qi Li Ab initio study of biphenyl chemisorption on Si͑001͒: Configurational stability (7 pages) ...... 035321 M. Mamatkulov, L. Stauffer, C. Minot, and Ph. Sonnet Spin diffusion equations for systems with Rashba spin-orbit interaction in an electric field (9 pages) ...... 035322 O. Bleibaum

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Vanishing spin-Hall current in a diffusive Rashba two-dimensional electron system: A quantum Boltzmann equation approach (8 pages) ...... 035323 S. Y. Liu, X. L. Lei, and Norman J. M. Horing Classical limit of transport in quantum kicked maps (15 pages) ...... 035324 Saar Rahav and Piet W. Brouwer Multiple-scattering theory for two-dimensional electron in the presence of spin-orbit coupling (17 pages) ...... 035325 Jamie D. Walls, Jian Huang, Robert M. Westervelt, and Eric J. Heller Quantum Hall droplet at excitonic filling factor ␯=2 in a self-assembled quantum dot (9 pages) ...... 035326 Shun-Jen Cheng and Pawel Hawrylak Generalized reconstruction model of SiC͑001͒-͑nϫ2͒ surfaces and Si ad-dimer strings (13 pages) ...... 035327 Peter Krüger and Johannes Pollmann Electronic structure of free-standing GaAs/AlGaAs nanowire superlattices (7 pages) ...... 035328 M. P. Persson and H. Q. Xu Influence of an electron-phonon subsystem on specific heat and two-photon absorption of the semimagnetic ͑ ͒ semiconductors Pb1−xYbxX X=S, Se,Te near the semiconductor-isolator phase transformation (8 pages) ...... 035329 K. Nouneh, I. V. Kityk, R. Viennois, S. Benet, S. Charar, S. Paschen, and K. Ozga Electronic structure of Si͑001͒-c͑4ϫ2͒ analyzed by scanning tunneling spectroscopy and ab initio simulations (5 pages) ...... 035330 Koji S. Nakayama, M. M. G. Alemany, Tomoko Sugano, Kenji Ohmori, H. Kwak, James R. Chelikowsky, and J. H. Weaver Signature of a double quantum-dot structure in the I-V characteristics of a complex system (6 pages) ...... 035331 L. Bitton, D. Radovsky, A. Cohen, A. Frydman, and R. Berkovits Enhanced conductance through side-coupled double quantum dots (10 pages) ...... 035332 R. Žitko and J. Bonča Rashba spin-orbit-coupled two-dimensional electron gas under an intense terahertz field: Theoretical calculations (5 pages) ...... 035333 C. M. Wang, S. Y. Liu, and X. L. Lei Nonlinear ultrafast optical absorption and pump-probe spectroscopy in biased semiconductor superlattices (8 pages) ...... 035334 Lijun Yang and Marc M. Dignam Interlevel electromagnetic response of quantum dots of shapes with uniaxial rotation symmetry (12 pages) . . . 035335 Victor Bondarenko and Yang Zhao Nanoscale measurement of the energy distribution of semiconductor surface states (7 pages) ...... 035336 S. Saraf, A. Schwarzman, Y. Dvash, S. Cohen, D. Ritter, and Y. Rosenwaks

Surface physics, nanoscale physics, low-dimensional systems Influence of doping density on electronic transport in degenerate Si:P ␦-doped layers (6 pages) ...... 035401 K. E. J. Goh, L. Oberbeck, M. Y. Simmons, A. R. Hamilton, and M. J. Butcher Oscillating surface effect in reflection-electron-energy-loss spectra (11 pages) ...... 035402 N. Pauly, S. Tougaard, and F. Yubero

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Plasmon excitation in sets of nanoscale cylinders and spheres (9 pages) ...... 035403 S. E. Sburlan, L. A. Blanco, and M. Nieto-Vesperinas Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces (8 pages) ...... 035404 Adam Kiejna, Georg Kresse, Jutta Rogal, Abir De Sarkar, Karsten Reuter, and Matthias Scheffler

Ferromagnetism in pressed polymerized C60 solids induced by C60 cage vacancies: A density-functional study (6 pages) ...... 035405 Jordi Ribas-Ariño and Juan J. Novoa Water adsorption on hydroxylated ␣-quartz ͑0001͒ surfaces: From monomer to flat bilayer (7 pages) ...... 035406 Jianjun Yang and E. G. Wang Plasmon slot waveguides: Towards chip-scale propagation with subwavelength-scale localization (9 pages) ...... 035407 J. A. Dionne, L. A. Sweatlock, H. A. Atwater, and A. Polman Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction (11 pages) ...... 035408 Xiaofeng Qian, Ju Li, Xi Lin, and Sidney Yip Subwavelength imaging: Resolution enhancement using metal wire gratings (7 pages) ...... 035409 G. Fedorov, S. I. Maslovski, A. V. Dorofeenko, A. P. Vinogradov, I. A. Ryzhikov, and S. A. Tretyakov

Dynamics of bulk versus nanoscale WS2: Local strain and charging effects (6 pages) ...... 035410 R. D. Luttrell, S. Brown, J. Cao, J. L. Musfeldt, R. Rosentsveig, and R. Tenne ͑ ͒ First-principles study of the 001 surface of cubic CaTiO3 (7 pages) ...... 035411 Yuan Xu Wang, Masao Arai, Taizo Sasaki, and Chun Lei Wang Method for calculating electronic structures near surfaces of semi-infinite crystals (12 pages) ...... 035412 Yonas B. Abraham and N. A. W. Holzwarth Electronic band structure, electron-phonon interaction, and of ͑5,5͒, ͑10,10͒, and ͑5,0͒ carbon nanotubes (5 pages) ...... 035413 K. Iyakutti, A. Bodapati, Xihong Peng, P. Keblinski, and S. K. Nayak Semiconductor to metal transition in PbS nanowires grown in mica channels (5 pages) ...... 035414 P. K. Mukherjee, K. Chatterjee, and D. Chakravorty Metal-semiconductor transition and Fermi velocity renormalization in metallic carbon nanotubes (10 pages) ...... 035415 Yan Li, Umberto Ravaioli, and Slava V. Rotkin Coexistence of meandering and bunching of steps on vicinal surfaces (5 pages) ...... 035416 Yan-Mei Yu and Bang-Gui Liu Surface and interface study of pulsed-laser-deposited off-stoichiometric NiMnSb thin films on a Si͑100͒ substrate (5 pages) ...... 035417 S. Rai, M. K. Tiwari, G. S. Lodha, M. H. Modi, M. K. Chattopadhyay, S. Majumdar, S. Gardelis, Z. Viskadourakis, J. Giapintzakis, R. V. Nandedkar, S. B. Roy, and P. Chaddah Step fluctuation studies of surface diffusion and step stiffness for the Ni͑111͒ surface (8 pages) ...... 035418 M. Ondrejcek, M. Rajappan, W. Swiech, and C. P. Flynn Quantitative low-energy electron diffraction analysis of MnO͑100͒ films grown on Ag͑100͒ (7 pages) ...... 035419 E. A. Soares, R. Paniago, V. E. de Carvalho, E. L. Lopes, G. J. P. Abreu, and H.-D. Pfannes

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

First-principles study of optical spectra of single-wall BC2N nanotubes (6 pages) ...... 035420 Hui Pan, Yuan Ping Feng, and Jian Yi Lin Expansion flow and cluster distributions originating from ultrafast-laser-induced fragmentation of thin metal films: A molecular-dynamics study (7 pages) ...... 035421 Arun K. Upadhyay and Herbert M. Urbassek

Normal-mode selectivity in ultrafast Raman excitations in C60 (6 pages) ...... 035422 G. P. Zhang and Thomas F. George Growth instability in Cu multilayer films due to fast edge/corner diffusion (8 pages) ...... 035423 Yunsic Shim and Jacques G. Amar Full shot noise in mesoscopic tunnel barriers (5 pages) ...... 035424 Yuanzhen Chen and Richard A. Webb Ab initio calculations of the stability of a vacancy in Na clusters and correlation with (6 pages) ..... 035425 Masahiro Itoh, Vijay Kumar, and Yoshiyuki Kawazoe Resolution of the diffusional paradox predicting infinitely fast kinetics on the nanoscale (7 pages) ...... 035426 D. L. Beke and Z. Erdélyi Nanoscale oxide growth on Al single crystals at low temperatures: Variable charge molecular dynamics simulations (13 pages) ...... 035427 A. Hasnaoui, O. Politano, J. M. Salazar, and G. Aral Hole transport through proton-irradiated p-type silicon wafers during electrochemical anodization (7 pages) ...... 035428 M. B. H. Breese, F. J. T. Champeaux, E. J. Teo, A. A. Bettiol, and D. J. Blackwood Growth and magnetism of Co films on a Pd monolayer on Cu͑001͒ (9 pages) ...... 035429 Y. F. Lu, M. Przybylski, M. Nývlt, A. Winkelmann, L. Yan, Y. Shi, J. Barthel, and J. Kirschner Reconstruction of quasi-one-dimensional In/Si͑111͒ systems: Charge- and spin-density waves versus bonding (12 pages) ...... 035430 X. López-Lozano, A. Krivosheeva, A. A. Stekolnikov, L. Meza-Montes, C. Noguez, J. Furthmüller, and F. Bechstedt Local and long-range order of carbon impurities on Fe͑100͒: Analysis of self-organization at a nanometer scale (9 pages) ...... 035431 G. Panaccione, J. Fujii, I. Vobornik, G. Trimarchi, N. Binggeli, A. Goldoni, R. Larciprete, and G. Rossi Intra- and intermolecular effects in the Compton profile of water (9 pages) ...... 035432 M. Hakala, K. Nygård, S. Manninen, L. G. M. Pettersson, and K. Hämäläinen Influence of radiative coupling on coherent Rabi intersubband oscillations in multiple quantum wells (8 pages) ...... 035433 Inès Waldmueller, Weng W. Chow, and Andreas Knorr Nanoscale sliding friction versus commensuration ratio: Molecular dynamics simulations (8 pages) ...... 035434 Evy Salcedo Torres, Sebastián Gonçalves, Claudio Scherer, and Miguel Kiwi Bromine-adsorption-induced change in the electronic and magnetic properties of nanographite network systems (13 pages) ...... 035435 Kazuyuki Takai, Hokuto Kumagai, Hirohiko Sato, and Toshiaki Enoki

(Continued) CONTENTS - Continued

PHYSICAL REVIEW B THIRD SERIES, VOLUME 73, NUMBER 1 JANUARY 2006-1(I)

Quantum chaos in nanoelectromechanical systems (13 pages) ...... 035436 André Gusso, M. G. E. da Luz, and Luis G. C. Rego

Influence of morphology of islands and of mobile clusters on island formation in molecular-beam epitaxy (7 pages) ...... 035437 Sang B. Lee

Saturation effect in the optical response of Ag-nanoparticle fractal aggregates (11 pages) ...... 035438 Andrei K. Buin, Peter F. de Châtel, Heinz Nakotte, Vladimir P. Drachev, and Vladimir M. Shalaev

COMMENTS

Comment on “Spin splitting in modulation-doped AlxGa1−xN/GaN heterostructures” (3 pages) ...... 037301 N. Tang, B. Shen, M. J. Wang, Z. J. Yang, K. Xu, G. Y. Zhang, D. J. Chen, Y. Xia, Y. Shi, R. Zhang, and Y. D. Zheng

Reply to “Comment on ‘Spin splitting in modulation-doped AlxGa1−xN/GaN heterostructures’ ” (3 pages) ...... 037302 Ikai Lo, J. K. Tsai, W. J. Yao, P. C. Ho, Li-Wei Tu, T. C. Chang, S. Elhamri, W. C. Mitchel, K. Y. Hsieh, J. H. Huang, H. L. Huang, and Wen-Chung Tsai

ERRATA

Erratum: Plasmon tunability in metallodielectric metamaterials ͓Phys. Rev. B 71, 235104 ͑2005͔͒ (1 page) ...... 039901͑E͒ Sampsa Riikonen, Isabel Romero, and F. J. García de Abajo

͑ ͒ Erratum: Adsorption and diffusion of Pt and Au on the stoichiometric and reduced TiO2 rutile 110 surfaces ͓Phys. Rev. B 72, 081407͑R͒͑2005͔͒ (1 page) ...... 039902͑E͒ Hakim Iddir, Serdar Öğüt, Nigel D. Browning, and Mark M. Disko Erratum: Many-body tight-binding model for aluminum nanoparticles ͓Phys. Rev. B 71, 045423 ͑2005͔͒ (1 page) ...... 039903͑E͒ Grażyna Staszewska, Przemysław Staszewski, Nathan E. Schultz, and Donald G. Truhlar

Retraction: Nonresonant tunneling carrier transfer in bilayer asymmetric InAs/GaAs quantum dots ͓Phys. Rev. B 71, 235313 ͑2005͔͒ (1 page) ...... 039904͑E͒ Yu. I. Mazur, Zh. M. Wang, G. G. Tarasov, G. J. Salamo, J. W. Tomm, V. Talalaev, and H. Kissel