Volume 69, Issue 19

15 May 2004

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BRIEF REPORTS

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

Effect of atomic displacements on the ground state of $α - {TeO}_{2}$

B. R. Sahu and Leonard Kleinman

Phys. Rev. B 69, 193101 (2004) - Published 4 May, 2004

Optical properties of the pyrochlore oxide ${Pb}_{2} {Ru}_{2} O_{6.5}$

P. Zheng, N. L. Wang, J. L. Luo, R. Jin, and D. Mandrus

Phys. Rev. B 69, 193102 (2004) - Published 7 May, 2004

Sensitivity to termination morphology of light coupling in photonic-crystal waveguides

Lan-Lan Lin and Zhi-Yuan Li

Phys. Rev. B 69, 193103 (2004) - Published 13 May, 2004

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

Phys. Rev. B 69, 193104 (2004) - Published 14 May, 2004

Electronic structure of calcium hexaboride within the weighted density approximation

Zhigang Wu, D. J. Singh, and R. E. Cohen

Phys. Rev. B 69, 193105 (2004) - Published 18 May, 2004

Semiconductors I: bulk

Electrical conductivity of tellurium in the liquid state

D. A. Barlow

Phys. Rev. B 69, 193201 (2004) - Published 10 May, 2004

Optical and electrical properties of vanadium and erbium in $4 H$ -SiC

D. Prezzi, T. A. G. Eberlein, J.-S. Filhol, R. Jones, M. J. Shaw, P. R. Briddon, and S. Öberg

Phys. Rev. B 69, 193202 (2004) - Published 12 May, 2004

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

Phys. Rev. B 69, 193203 (2004) - Published 19 May, 2004

Pulsed-illumination study of metastable defect creation time scales in hydrogenated amorphous silicon

Stephan Heck and Howard M. Branz

Phys. Rev. B 69, 193204 (2004) - Published 26 May, 2004

Optical band-edge shift of anatase ${Ti}_{1 - x} {Co}_{x} O_{2 - δ}$

J. R. Simpson, H. D. Drew, S. R. Shinde, R. J. Choudhary, S. B. Ogale, and T. Venkatesan

Phys. Rev. B 69, 193205 (2004) - Published 28 May, 2004

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

Energetics of growth on the $c (4 \times 4)$ reconstructed GaAs(001) surface and antisite formation: An ab initio approach

Sándor Kunsági-Máté, Carsten Schür, Tamas Marek, and Horst P. Strunk

Phys. Rev. B 69, 193301 (2004) - Published 4 May, 2004

Resonant nature of phonon-induced damping of Rabi oscillations in quantum dots

P. Machnikowski and L. Jacak

Phys. Rev. B 69, 193302 (2004) - Published 4 May, 2004

NMR investigation of atomic ordering in ${Al}_{x} {Ga}_{1 - x} As$ thin films

C. Degen, M. Tomaselli, B. H. Meier, M. M. A. J. Voncken, and A. P. M Kentgens

Phys. Rev. B 69, 193303 (2004) - Published 11 May, 2004

Radiation-induced oscillatory magnetoresistance as a sensitive probe of the zero-field spin-splitting in high-mobility ${G a A s / A l}_{x} {Ga}_{1 - x} As$ devices

R. G. Mani, J. H. Smet, K. von Klitzing, V. Narayanamurti, W. B. Johnson, and V. Umansky

Phys. Rev. B 69, 193304 (2004) - Published 21 May, 2004

Resonant thermal transport in semiconductor barrier structures

P. Hyldgaard

Phys. Rev. B 69, 193305 (2004) - Published 24 May, 2004

Interaction-induced dephasing of Aharonov-Bohm oscillations

T. Ludwig and A. D. Mirlin

Phys. Rev. B 69, 193306 (2004) - Published 25 May, 2004

Self-assembly of quantum dots: Effect of neighbor islands on the wetting in coherent Stranski-Krastanov growth

José Emilio Prieto and Ivan Markov

Phys. Rev. B 69, 193307 (2004) - Published 28 May, 2004

Surface physics, low-dimensional systems, and related topics

Chiral symmetry of double-walled carbon nanotubes detected in first-principles optical absorption spectra

Xiaoping Yang, Jiangwei Chen, Hui Jiang, and Jinming Dong

Phys. Rev. B 69, 193401 (2004) - Published 4 May, 2004

Growth mechanisms in Ge/Si(111) heteroepitaxy with and without Bi as a surfactant

Neelima Paul, Hidehito Asaoka, Josef Mysliveček, and Bert Voigtländer

Phys. Rev. B 69, 193402 (2004) - Published 13 May, 2004

Tubular structures of GaS

Th. Köhler, Th. Frauenheim, Z. Hajnal, and G. Seifert

Phys. Rev. B 69, 193403 (2004) - Published 13 May, 2004

Nanowires for spintronics: A study of transition-metal elements of groups 8–10

Tashi Nautiyal, T. H. Rho, and Kwang S. Kim

Phys. Rev. B 69, 193404 (2004) - Published 13 May, 2004

Mg(0001) surface oxidation: A two-dimensional oxide phase

Elsebeth Schröder, Roman Fasel, and Adam Kiejna

Phys. Rev. B 69, 193405 (2004) - Published 21 May, 2004

Formation of carbon-gold-sulfide conductive granular molecules by a cooperation process of plasma CVD and sputtering

Md. Abul Kashem and Shinzo Morita

Phys. Rev. B 69, 193406 (2004) - Published 24 May, 2004

ARTICLES

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

Exchange and correlation as a functional of the local density of states

José M. Soler

Phys. Rev. B 69, 195101 (2004) - Published 4 May, 2004

Variational energy functionals tested on atoms

Nils Erik Dahlen and Ulf von Barth

Phys. Rev. B 69, 195102 (2004) - Published 5 May, 2004

Modeling the crystal-field splitting of the energy levels of ${Er}^{3 +}$ in charge-compensated sites in lithium niobate

John B. Gruber, Dhiraj K. Sardar, Raylon M. Yow, Bahram Zandi, and Edvard P. Kokanyan

Phys. Rev. B 69, 195103 (2004) - Published 6 May, 2004

Dependence of the optical and magneto-optical properties and electronic structures on the atomic order in ${Ni}_{2} MnIn$ Heusler alloys

Y. V. Kudryavtsev, Y. P. Lee, and J. Y. Rhee

Phys. Rev. B 69, 195104 (2004) - Published 13 May, 2004

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

Phys. Rev. B 69, 195105 (2004) - Published 18 May, 2004

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

Phys. Rev. B 69, 195106 (2004) - Published 20 May, 2004

Fractal noise in quantum ballistic and diffusive lattice systems

E. J. Amanatidis, D. E. Katsanos, and S. N. Evangelou

Phys. Rev. B 69, 195107 (2004) - Published 21 May, 2004

Analytical and numerical studies of wire-mesh metallic photonic crystals

A. L. Pokrovsky

Phys. Rev. B 69, 195108 (2004) - Published 24 May, 2004

Kondo effect in systems with dynamical symmetries

T. Kuzmenko, K. Kikoin, and Y. Avishai

Phys. Rev. B 69, 195109 (2004) - Published 25 May, 2004

Embedding method for conductance of DNA

O. R. Davies and J. E. Inglesfield

Phys. Rev. B 69, 195110 (2004) - Published 26 May, 2004

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

Phys. Rev. B 69, 195111 (2004) - Published 27 May, 2004

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

Phys. Rev. B 69, 195112 (2004) - Published 27 May, 2004

Numerical atomic basis orbitals from H to Kr

T. Ozaki and H. Kino

Phys. Rev. B 69, 195113 (2004) - Published 28 May, 2004

Optical investigation of the charge-density-wave phase transitions in ${NbSe}_{3}$

A. Perucchi, L. Degiorgi, and R. E. Thorne

Phys. Rev. B 69, 195114 (2004) - Published 28 May, 2004

Charge-density-wave instabilities driven by multiple umklapp scattering

Peter Schmitteckert and Ralph Werner

Phys. Rev. B 69, 195115 (2004) - Published 28 May, 2004

Evolution of the electronic structure from electron-doped to hole-doped states in the two-dimensional Mott-Hubbard system ${La}_{1.17 - x} {Pb}_{x} {VS}_{3.17}$

A. Ino, T. Okane, S.-I. Fujimori, A. Fujimori, T. Mizokawa, Y. Yasui, T. Nishikawa, and M. Sato

Phys. Rev. B 69, 195116 (2004) - Published 28 May, 2004

Semiconductors I: bulk

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

Phys. Rev. B 69, 195201 (2004) - Published 11 May, 2004

Spectra and energy levels of ${Gd}^{3 +} {(4 f}^{7})$ in AlN

John B. Gruber, Ulrich Vetter, Hans Hofsäss, Bahram Zandi, and Michael F. Reid

Phys. Rev. B 69, 195202 (2004) - Published 19 May, 2004

On-site Coulomb interaction and the magnetism of (GaMn)N and (GaMn)As

L. M. Sandratskii, P. Bruno, and J. Kudrnovský

Phys. Rev. B 69, 195203 (2004) - Published 21 May, 2004

First-principles study of neutral oxygen vacancies in amorphous silica and germania

Tomoyuki Tamura, Guang-Hong Lu, Ryoichi Yamamoto, and Masanori Kohyama

Phys. Rev. B 69, 195204 (2004) - Published 24 May, 2004

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

Phys. Rev. B 69, 195205 (2004) - Published 26 May, 2004

$H_{2} O$ and $O_{2}$ molecules in amorphous ${SiO}_{2} :$ Defect formation and annihilation mechanisms

T. Bakos, S. N. Rashkeev, and S. T. Pantelides

Phys. Rev. B 69, 195206 (2004) - Published 26 May, 2004

Reverse Monte Carlo modeling of amorphous silicon

Parthapratim Biswas, Raymond Atta-Fynn, and D. A. Drabold

Phys. Rev. B 69, 195207 (2004) - Published 28 May, 2004

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

Resonance approximation and charge loading and unloading in adiabatic quantum pumping

Vyacheslavs Kashcheyevs, Amnon Aharony, and Ora Entin-Wohlman

Phys. Rev. B 69, 195301 (2004) - Published 6 May, 2004

Plasmon attenuation and optical conductivity of a two-dimensional electron gas

E. G. Mishchenko, M. Yu. Reizer, and L. I. Glazman

Phys. Rev. B 69, 195302 (2004) - Published 13 May, 2004

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

Phys. Rev. B 69, 195303 (2004) - Published 13 May, 2004

Dynamical screening effects on dark current in a quantum-well infrared photodetector

S. Panda, B. K. Panda, and S. G. Mishra

Phys. Rev. B 69, 195304 (2004) - Published 13 May, 2004

Metallicity and its low-temperature behavior in dilute two-dimensional carrier systems

S. Das Sarma and E. H. Hwang

Phys. Rev. B 69, 195305 (2004) - Published 18 May, 2004

Thermopower of a p-type ${S i / S i}_{1 - x} {Ge}_{x}$ heterostructure

C. Possanzini, R. Fletcher, M. Tsaousidou, P. T. Coleridge, R. L. Williams, Y. Feng, and J. C. Maan

Phys. Rev. B 69, 195306 (2004) - Published 18 May, 2004

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

Phys. Rev. B 69, 195307 (2004) - Published 20 May, 2004

Coherent control of electric currents in superlattices and molecular wires: Effect of relaxation

Kirill A. Pronin and Andre D. Bandrauk

Phys. Rev. B 69, 195308 (2004) - Published 21 May, 2004

Excitons in Si nanocrystals: Confinement and migration effects

Johannes Heitmann, Frank Müller, Lixin Yi, Margit Zacharias, Dmitri Kovalev, and Frank Eichhorn

Phys. Rev. B 69, 195309 (2004) - Published 21 May, 2004

Numerical analysis of radio-frequency single-electron transistor operation

Valentin O. Turin and Alexander N. Korotkov

Phys. Rev. B 69, 195310 (2004) - Published 21 May, 2004

Structural properties of a thallium-induced Si(111)- $1 \times 1$ surface

N. D. Kim, C. G. Hwang, J. W. Chung, T. C. Kim, H. J. Kim, and D. Y. Noh

Phys. Rev. B 69, 195311 (2004) - Published 25 May, 2004

Simulation of Ge/Si intermixing during heteroepitaxy

Richard J. Wagner and Erdogan Gulari

Phys. Rev. B 69, 195312 (2004) - Published 25 May, 2004

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

Phys. Rev. B 69, 195313 (2004) - Published 25 May, 2004

Hall effect in the ferromagnet ${UGe}_{2}$

V. H. Tran, S. Paschen, R. Troć, M. Baenitz, and F. Steglich

Phys. Rev. B 69, 195314 (2004) - Published 26 May, 2004

Molecular spintronics: Coherent spin transfer in coupled quantum dots

Florian Meier, Veronica Cerletti, Oliver Gywat, Daniel Loss, and D. D. Awschalom

Phys. Rev. B 69, 195315 (2004) - Published 26 May, 2004

Thermal conductivity modeling of periodic two-dimensional nanocomposites

Ronggui Yang and Gang Chen

Phys. Rev. B 69, 195316 (2004) - Published 27 May, 2004

Charge-state dependence of InAs quantum-dot emission energies

S. Schulz, S. Schnüll, Ch. Heyn, and W. Hansen

Phys. Rev. B 69, 195317 (2004) - Published 28 May, 2004

Time-dependent partition-free approach in resonant tunneling systems

Gianluca Stefanucci and Carl-Olof Almbladh

Phys. Rev. B 69, 195318 (2004) - Published 28 May, 2004

Surface physics, low-dimensional systems, and related topics

Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces

N. Bonini, A. Kokalj, A. Dal Corso, S. de Gironcoli, and S. Baroni

Phys. Rev. B 69, 195401 (2004) - Published 3 May, 2004

Effect of molecular wires attached to benzene: Local density-of-states study

R. Kucharczyk and S. G. Davison

Phys. Rev. B 69, 195402 (2004) - Published 3 May, 2004

Ab initio calculations of adsorbate-induced stress on Ni(100)

Sampyo Hong, Abdelkader Kara, Talat S. Rahman, Rolf Heid, and Klaus Peter Bohnen

Phys. Rev. B 69, 195403 (2004) - Published 5 May, 2004

Water adsorption on metal surfaces: A general picture from density functional theory studies

Sheng Meng, E. G. Wang, and Shiwu Gao

Phys. Rev. B 69, 195404 (2004) - Published 5 May, 2004

$(3 \times 1)$ -Br/Pt(110) structure and the charge-density-wave-assisted $c (2 \times 2)$ to $(3 \times 1)$ phase transition

C. Deisl, K. Swamy, N. Memmel, E. Bertel, C. Franchini, G. Schneider, J. Redinger, S. Walter, L. Hammer, and K. Heinz

Phys. Rev. B 69, 195405 (2004) - Published 6 May, 2004

ERRATA

Erratum: First-principles approach to the electron-phonon interaction [Phys. Rev. B 69, 115110 (2004)]

Robert van Leeuwen

Phys. Rev. B 69, 199901 (2004) - Published 7 May, 2004

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

Phys. Rev. B 69, 199902 (2004) - Published 19 May, 2004