Volume 54, Issue 19

15 November 1996

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BRIEF REPORTS

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

Heterogeneous electronic structure in ${CaVO}_{3}$

J.-S. Zhou and J. B. Goodenough

Phys. Rev. B 54, 13393 (1996) - Published 15 November, 1996

Charge and spin response of the spin-polarized electron gas

K. S. Yi and J. J. Quinn

Phys. Rev. B 54, 13398 (1996) - Published 15 November, 1996

Unified approach for the calculation of force constants and accelerated convergence of atomic coordinates

R. B. Capaz and J. D. Joannopoulos

Phys. Rev. B 54, 13402 (1996) - Published 15 November, 1996

Low-temperature shear compliance of ${TaS}_{3}$

X. Zhan and J. W. Brill

Phys. Rev. B 54, 13406 (1996) - Published 15 November, 1996

Electronic structure and final-state effects in ${Nd}_{2}$ ${CuO}_{4}$ , ${La}_{2}$ ${CuO}_{4}$ , and ${Ca}_{2}$ ${CuO}_{3}$ compounds by multichannel multiple-scattering theory at the copper K edge

Ziyu Wu, M. Benfatto, and C. R. Natoli

Phys. Rev. B 54, 13409 (1996) - Published 15 November, 1996

Semiconductors I: bulk

Phonon shifts relating to the defect structure in neutron-transmutation-doped semi-insulating GaAs

K. Kuriyama, Shigeki Satoh, and M. Okada

Phys. Rev. B 54, 13413 (1996) - Published 15 November, 1996

Local-field and exchange-correlation effects in optical spectra of semiconductors

V. I. Gavrilenko and F. Bechstedt

Phys. Rev. B 54, 13416 (1996) - Published 15 November, 1996

Simple model for local moment formation in amorphous Si

Thorsten Koslowski, Simone Knief, and Wolfgang von Niessen

Phys. Rev. B 54, 13420 (1996) - Published 15 November, 1996

Jahn-Teller effect in the luminescence spectra of ZnS: $V^{+}$ and ZnSe: $V^{+}$

E. E. Vogel, M. A. de Orúe, J. Rivera-Iratchet, H.-J. Schulz, and M. U. Lehr

Phys. Rev. B 54, 13424 (1996) - Published 15 November, 1996

Defect photoluminescence in polycrystalline diamond films grown by arc-jet chemical-vapor deposition

S. Lal, T. Dallas, S. Yi, S. Gangopadhyay, M. Holtz, and F. G. Anderson

Phys. Rev. B 54, 13428 (1996) - Published 15 November, 1996

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

Localization of two-dimensional electrons in a random magnetic field

K. Yakubo and Y. Goto

Phys. Rev. B 54, 13432 (1996) - Published 15 November, 1996

Insulating behavior of alkali-metal-covered GaAs(110)

X. W. Wang and Changfeng Chen

Phys. Rev. B 54, 13436 (1996) - Published 15 November, 1996

Influence of the kinetic energy of electrons on the formation of excitons in a shallow ${In}_{x}$ ${Ga}_{1 - x}$ As/GaAs quantum well

J. Kovac̆, H. Schweizer, M. H. Pilkuhn, and H. Nickel

Phys. Rev. B 54, 13440 (1996) - Published 15 November, 1996

Temperature-dependent optical anisotropy of the vicinal Si(001):(2×1) surface

R. J. Cole, S. Tanaka, P. Gerber, J. R. Power, T. Farrell, and P. Weightman

Phys. Rev. B 54, 13444 (1996) - Published 15 November, 1996

Finite size corrections to the conductance of ballistic wires

A. García-Martín, J. A. Torres, and J. J. Sáenz

Phys. Rev. B 54, 13448 (1996) - Published 15 November, 1996

Resonant reflection, cooling, and quasitrapping of ballistic electrons by dynamic potential barriers

O. A. Tkachenko, V. A. Tkachenko, and D. G. Baksheyev

Phys. Rev. B 54, 13452 (1996) - Published 15 November, 1996

Spin resonance in ${In}_{0.53}$ ${Ga}_{0.47}$ As under hydrostatic pressure

S. Charlebois, J. Beerens, C. J. Miner, and N. Puetz

Phys. Rev. B 54, 13456 (1996) - Published 15 November, 1996

Strain effects on excitonic transitions in GaN: Deformation potentials

W. Shan, R. J. Hauenstein, A. J. Fischer, J. J. Song, W. G. Perry, M. D. Bremser, R. F. Davis, and B. Goldenberg

Phys. Rev. B 54, 13460 (1996) - Published 15 November, 1996

Surface physics, low-dimensional systems, and related topics

Early stages of epitaxial growth of vanadium oxide at the ${TiO}_{2}$ (110) surface studied by photoelectron diffraction

M. Sambi, G. Sangiovanni, G. Granozzi, and F. Parmigiani

Phys. Rev. B 54, 13464 (1996) - Published 15 November, 1996

Direct observation of the c(8×8) defect structure on Si(001) using scanning tunneling microscopy

P. W. Murray, R. Lindsay, F. M. Leibsle, P. L. Wincott, and G. Thornton

Phys. Rev. B 54, 13468 (1996) - Published 15 November, 1996

Scanning tunneling microscopy of $C_{60}$ /Al(111)-6×6: Inequivalent molecular sites and electronic structures

M. K. -J. Johansson, A. J. Maxwell, S. M. Gray, P. A. Brühwiler, D. C. Mancini, L. S. O. Johansson, and N. Mårtensson

Phys. Rev. B 54, 13472 (1996) - Published 15 November, 1996

Stress relief via island formation of an isotropically strained bimetallic surface layer: The mesoscopic morphology of the Ag/Pt (111) surface alloy

R. Schuster, H. Röder, K. Bromann, H. Brune, and K. Kern

Phys. Rev. B 54, 13476 (1996) - Published 15 November, 1996

Comparative study of oxygen double exchange between $O_{2}$ adsorbate and alkaline-earth oxides

Ryoitiro Huzimura, Keiko Matsumura, Shinichi Yamabe, and Yasunori Yanagisawa

Phys. Rev. B 54, 13480 (1996) - Published 15 November, 1996

Periodic traveling-wave solution of the Sakuma-Nishiguchi equation

David R. Rowland and Zlatko Jovanoski

Phys. Rev. B 54, 13484 (1996) - Published 15 November, 1996

Collective plasmon excitations in graphene tubules

Xudong Jiang

Phys. Rev. B 54, 13487 (1996) - Published 15 November, 1996

Electronic states of the heteroepitaxial double-layer system: Graphite/monolayer hexagonal boron nitride/Ni(111)

A. Nagashima, Y. Gamou, M. Terai, M. Wakabayashi, and C. Oshima

Phys. Rev. B 54, 13491 (1996) - Published 15 November, 1996

Friedel oscillations in the one-dimensional Kondo lattice model

Naokazu Shibata, Kazuo Ueda, Tomotoshi Nishino, and Chikara Ishii

Phys. Rev. B 54, 13495 (1996) - Published 15 November, 1996

Isochromat photon map induced by scanning tunneling microscopy from gold particles

T. Umeno, R. Nishitani, A. Kasuya, and Y. Nishina

Phys. Rev. B 54, 13499 (1996) - Published 15 November, 1996

Simulations of submicrometer-scale roughening on ion-bombarded solid surfaces

I. Koponen, M. Hautala, and O.-P. Sievänen

Phys. Rev. B 54, 13502 (1996) - Published 15 November, 1996

ARTICLES

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

First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl

N. I. Medvedeva, O. N. Mryasov, Yu. N. Gornostyrev, D. L. Novikov, and A. J. Freeman

Phys. Rev. B 54, 13506 (1996) - Published 15 November, 1996

Quantum phase transitions involving a change in polarization

Gerardo Ortiz, Pablo Ordejón, Richard M. Martin, and Guillermo Chiappe

Phys. Rev. B 54, 13515 (1996) - Published 15 November, 1996

Correlation effects in MgO and CaO: Cohesive energies and lattice constants

Klaus Doll, Michael Dolg, and Hermann Stoll

Phys. Rev. B 54, 13529 (1996) - Published 15 November, 1996

Magnetoelectrodynamics of a three-dimensional organic conductor: Observation of cyclotron resonance in $d_{2}$ [1,1;0]-(DMe-DCNQI $)_{2}$ Cu

S. Hill, P. S. Sandhu, M. E. J. Boonman, J. A. A. J. Perenboom, A. Wittlin, S. Uji, J. S. Brooks, R. Kato, H. Sawa, and S. Aonuma

Phys. Rev. B 54, 13536 (1996) - Published 15 November, 1996

Electronic structure of heazlewoodite ${Ni}_{3}$ $S_{2}$

Z. W. Lu, B. M. Klein, and David J. Singh

Phys. Rev. B 54, 13542 (1996) - Published 15 November, 1996

First-principles investigation of the optical properties of crystalline poly(di-n-hexylsilane)

W. Y. Ching, Yong-Nian Xu, and R. H. French

Phys. Rev. B 54, 13546 (1996) - Published 15 November, 1996

Effect of alloying on the electronic structure in CeNiSn

A. Ślebarski, A. Jezierski, A. Zygmunt, S. Mähl, M. Neumann, and G. Borstel

Phys. Rev. B 54, 13551 (1996) - Published 15 November, 1996

Electronic and volumetric effects in ternary compounds of ytterbium

Patrizia Monachesi and Alessandra Continenza

Phys. Rev. B 54, 13558 (1996) - Published 15 November, 1996

Local approach to electronic excitations in MnO, FeO, CoO, and NiO

Manabu Takahashi and Jun-ichi Igarashi

Phys. Rev. B 54, 13566 (1996) - Published 15 November, 1996

Electron-hole system revisited: A variational quantum Monte Carlo study

Xuejun Zhu, Mark S. Hybertsen, and P. B. Littlewood

Phys. Rev. B 54, 13575 (1996) - Published 15 November, 1996

Some properties of the eigenstates in the many-electron problem

J. Szeftel and A. Khater

Phys. Rev. B 54, 13581 (1996) - Published 15 November, 1996

Stability of charge-density waves under continuous variation of band filling in ${LaTe}_{2 - x}$ ${Sb}_{x}$ (0⩽x⩽1)

E. DiMasi, B. Foran, M. C. Aronson, and S. Lee

Phys. Rev. B 54, 13587 (1996) - Published 15 November, 1996

Exact Friedel oscillations in the g=1/2 Luttinger liquid

A. Leclair, F. Lesage, and H. Saleur

Phys. Rev. B 54, 13597 (1996) - Published 15 November, 1996

High-field magnetoconductance in Anderson insulators

A. Vaknin, A. Frydman, Z. Ovadyahu, and M. Pollak

Phys. Rev. B 54, 13604 (1996) - Published 15 November, 1996

Correlation effects on electronic and optical properties of a $C_{60}$ molecule: A variational Monte Carlo study

Jinming Dong, Z. D. Wang, D. Y. Xing, Zbigniew Domański, Paul Erdös, and P. Santini

Phys. Rev. B 54, 13611 (1996) - Published 15 November, 1996

Electronic structures and optical properties of low- and high-pressure phases of crystalline $B_{2}$ $O_{3}$

Dong Li and W. Y. Ching

Phys. Rev. B 54, 13616 (1996) - Published 15 November, 1996

Oscillatory dephasing in the presence of inhomogeneous broadening

P. Martin, J. P. Lavoine, A. J. Boeglin, and A. A. Villaeys

Phys. Rev. B 54, 13623 (1996) - Published 15 November, 1996

Forward and backward self-consistent approach to coherent-light propagation in stratified structures

Tomobumi Mishina

Phys. Rev. B 54, 13630 (1996) - Published 15 November, 1996

Numerical microcanonical ensemble method for calculation on statistical models with large lattice sizes

Jone-Zen Wang and Tzong-Jer Yang

Phys. Rev. B 54, 13635 (1996) - Published 15 November, 1996

Weighted density approximation applied to diatomic molecules

Michael Sadd and M. P. Teter

Phys. Rev. B 54, 13643 (1996) - Published 15 November, 1996

Core-electron shake-up spectra of polyenes: A theoretical study on size and site dependences and excitonic character

Li Yang and Hans Ågren

Phys. Rev. B 54, 13649 (1996) - Published 15 November, 1996

Quantum-mechanical derivation of angular and torsional forces in well-bonded systems

A. E. Carlsson

Phys. Rev. B 54, 13656 (1996) - Published 15 November, 1996

First-principles study on metal-doped icosahedral $B_{12}$ solids

Shigeki Gunji and Hiroshi Kamimura

Phys. Rev. B 54, 13665 (1996) - Published 15 November, 1996

Finite-temperature properties of a gauge theory of nonrelativistic fermions

Masaru Onoda, Ikuo Ichinose, and Tetsuo Matsui

Phys. Rev. B 54, 13674 (1996) - Published 15 November, 1996

Semiconductors I: bulk

All-electron study of the electronic properties of quartz with Al substitutional impurity

A. Continenza and A. Di Pomponio

Phys. Rev. B 54, 13687 (1996) - Published 15 November, 1996

Low-temperature dynamic susceptibility of thin ${Cd}_{1 - x}$ ${Mn}_{x}$ Te films

Sharat Chandra, L. K. Malhotra, Sandip Dhara, and A. C. Rastogi

Phys. Rev. B 54, 13694 (1996) - Published 15 November, 1996

Unoccupied bulk and surface bands in the ΓKX-ΓKX plane of GaAs as observed by inverse photoemission spectroscopy

W. Sheils, X. D. Zhang, R. C. G. Leckey, and J. D. Riley

Phys. Rev. B 54, 13705 (1996) - Published 15 November, 1996

Theoretical investigations of the interaction between electron and hole polarons in thiophene oligomers

J. Fagerström and S. Stafström

Phys. Rev. B 54, 13713 (1996) - Published 15 November, 1996

Impurity modes in the optical stop bands of doped colloidal crystals

Ranjit D. Pradhan, İ. İnanç Tarhan, and George H. Watson

Phys. Rev. B 54, 13721 (1996) - Published 15 November, 1996

First-principles study of a tilt grain boundary in rutile

I. Dawson, P. D. Bristowe, M.-H. Lee, M. C. Payne, M. D. Segall, and J. A. White

Phys. Rev. B 54, 13727 (1996) - Published 15 November, 1996

Spatial aspects connected with the nucleation process of current filamentation in p-type germanium

M. Hirsch, A. Kittel, and J. Parisi

Phys. Rev. B 54, 13734 (1996) - Published 15 November, 1996

Analysis of space-charge wave effects in GaAs:EL2

B. I. Sturman, María Aguilar, and F. Agulló-López

Phys. Rev. B 54, 13737 (1996) - Published 15 November, 1996

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

Puckering models for the Si(113) surface reconstruction

J. Wang, A. P. Horsfield, D. G. Pettifor, and M. C. Payne

Phys. Rev. B 54, 13744 (1996) - Published 15 November, 1996

Chemistry and electronic properties of metal-organic semiconductor interfaces: Al, Ti, In, Sn, Ag, and Au on PTCDA

Y. Hirose, A. Kahn, V. Aristov, P. Soukiassian, V. Bulovic, and S. R. Forrest

Phys. Rev. B 54, 13748 (1996) - Published 15 November, 1996

Quasiparticle band structures of clean, hydrogen-, and sulfur-terminated Ge(001) surfaces

Michael Rohlfing, Peter Krüger, and Johannes Pollmann

Phys. Rev. B 54, 13759 (1996) - Published 15 November, 1996

Quantum dot self-consistent electronic structure and the Coulomb blockade

M. Stopa

Phys. Rev. B 54, 13767 (1996) - Published 15 November, 1996

First-principles study of the quaternary semiconductor superlattices (GaX $)_{1}$ /(YAs $)_{1}$ (X=N, P; Y=Al, In)

Y. M. Gu, Tao Pang, Changfeng Chen, E. G. Wang, C. S. Ting, D. M. Bylander, and Leonard Kleinman

Phys. Rev. B 54, 13784 (1996) - Published 15 November, 1996

Theory of anyon excitons: Relation to excitons of ν=1/3 and ν=2/3 incompressible liquids

M. E. Portnoi and E. I. Rashba

Phys. Rev. B 54, 13791 (1996) - Published 15 November, 1996

Cyclotron resonance and spin states in GaAs/ ${Ga}_{1 - x}$ ${Al}_{x}$ As heterojunctions: Experiment and theory

J. G. Michels, M. S. Daly, P. Gee, S. Hill, R. J. Nicholas, J. Singleton, G. M. Summers, R. J. Warburton, C. T. Foxon, and J. J. Harris

Phys. Rev. B 54, 13807 (1996) - Published 15 November, 1996

Compressible and incompressible stripes in a narrow electron channel

D. Schmerek, S. Manus, A. O. Govorov, W. Hansen, J. P. Kotthaus, and M. Holland

Phys. Rev. B 54, 13816 (1996) - Published 15 November, 1996

High-pressure study of optical transitions in strained ${In}_{0.2}$ ${Ga}_{0.8}$ As/GaAs multiple quantum wells

G. H. Li, A. R. Goñi, K. Syassen, H. Q. Hou, W. Feng, and J. M. Zhou

Phys. Rev. B 54, 13820 (1996) - Published 15 November, 1996

Drag effect for a bilayer charged-Bose-gas system

B. Tanatar and A. K. Das

Phys. Rev. B 54, 13827 (1996) - Published 15 November, 1996

Spin instabilities in coupled semiconductor quantum wells

R. J. Radtke, P. I. Tamborenea, and S. Das Sarma

Phys. Rev. B 54, 13832 (1996) - Published 15 November, 1996

Chaotic electron dynamics around a single elliptically shaped antidot

X. Kleber, G. M. Gusev, U. Gennser, D. K. Maude, J. C. Portal, D. I. Lubyshev, P. Basmaji, M. de P.A. Silva, J. C. Rossi, and Yu. V. Nastaushev

Phys. Rev. B 54, 13859 (1996) - Published 15 November, 1996

Tunneling properties of ${Al}_{x}$ ${Ga}_{1 - x}$ As and AlAs barriers studied by ballistic electron luminescence spectroscopy

M. V. Petrov, S. R. Parihar, and S. A. Lyon

Phys. Rev. B 54, 13868 (1996) - Published 15 November, 1996

Defect evolution in Co-implanted Si during annealing at 1000 °C studied using variable-energy positrons and Rutherford backscattering

A. P. Knights, G. R. Carlow, M. Zinke-Allmang, and P. J. Simpson

Phys. Rev. B 54, 13955 (1996) - Published 15 November, 1996

Controlling low-temperature tunneling dynamics with external fields

M. Morillo and R. I. Cukier

Phys. Rev. B 54, 13962 (1996) - Published 15 November, 1996

Electronic structure of a model nanocrystalline/amorphous mixed-phase silicon

Shintaro Nomura, Xinwei Zhao, Yoshinobu Aoyagi, and Takuo Sugano

Phys. Rev. B 54, 13974 (1996) - Published 15 November, 1996

In-plane transport properties of heavily δ-doped GaAs n-i-p-i superlattices: Metal-insulator transition, weak and strong localization

T. Schmidt, St. G. Müller, K. H. Gulden, C. Metzner, and G. H. Döhler

Phys. Rev. B 54, 13980 (1996) - Published 15 November, 1996

Surface physics, low-dimensional systems, and related topics

Epitaxial interactions between molecular overlayers and ordered substrates

Andrew C. Hillier and Michael D. Ward

Phys. Rev. B 54, 14037 (1996) - Published 15 November, 1996

Charge transfer and surface scattering at Cu- $C_{60}$ planar interfaces

A. F. Hebard, R. R. Ruel, and C. B. Eom

Phys. Rev. B 54, 14052 (1996) - Published 15 November, 1996

In situ investigation of the catalytic reaction $H_{2}$ +1/ ${2 O}_{2}$ → $H_{2}$ O on Pt(111) with second-harmonic generation

Frank Eisert and Arne Rosén

Phys. Rev. B 54, 14061 (1996) - Published 15 November, 1996

Structure of the α- ${Cr}_{2}$ $O_{3}$ (0001) surface: An ab initio total-energy study

C. Rehbein, N. M. Harrison, and A. Wander

Phys. Rev. B 54, 14066 (1996) - Published 15 November, 1996

Critical temperature for mound formation in molecular-beam epitaxy

Jacques G. Amar and Fereydoon Family

Phys. Rev. B 54, 14071 (1996) - Published 15 November, 1996

Molecular-dynamics simulations of the dynamical excitations in commensurate submonolayer films of nitrogen molecules on graphite

F. Y. Hansen, L. W. Bruch, and H. Taub

Phys. Rev. B 54, 14077 (1996) - Published 15 November, 1996

First-principles calculation of oxygen adsorption on Zr(0001) surface: Possible site occupation between the second and the third layer

Masahiro Yamamoto, C. T. Chan, K. M. Ho, and Shizuo Naito

Phys. Rev. B 54, 14111 (1996) - Published 15 November, 1996

ERRATA

Erratum: Unified treatment of temperature, concentration, and electric-field dependences of variable-range-hopping conductivity

X. X. Wang, C. J. Martoff, and E. Kaczanowicz

Phys. Rev. B 54, 14189 (1996) - Published 15 November, 1996

Erratum: Large and irregular shift of photoluminescence excitation spectra observed in photochemically etched porous silicon

Hideki Koyama, Noriko Shima, and Nobuyoshi Koshida

Phys. Rev. B 54, 14189 (1996) - Published 15 November, 1996