Volume 39, Issue 8

15 March 1989

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ARTICLES

Electronic-structure calculation for metals by local optimization

C. Woodward, B. I. Min, R. Benedek, and J. Garner

Phys. Rev. B 39, 4853 (1989) - Published 15 March, 1989

Optical effects of methylated hydrazine intercalation in lead iodide

R. Al-Jishi, C. C. Coleman, R. Treece, and H. Goldwhite

Phys. Rev. B 39, 4862 (1989) - Published 15 March, 1989

First-principles calculational methods for surface-vacancy formation energies, heats of segregation, and surface core-level shifts

Peter J. Feibelman

Phys. Rev. B 39, 4866 (1989) - Published 15 March, 1989

Dynamical evaluation of Hartree-Fock exchange approximations

N. O. Folland

Phys. Rev. B 39, 4873 (1989) - Published 15 March, 1989

Corrections to the continuum approximation for the large polaron bound to a defect: The ground-state energy

Y. Frongillo and Y. Lépine

Phys. Rev. B 39, 4878 (1989) - Published 15 March, 1989

Unoccupied electronic states of CuO: An oxygen 1s x-ray-absorption spectroscopy investigation

M. Grioni, M. T. Czyzyk, F. M. F. de Groot, J. C. Fuggle, and B. E. Watts

Phys. Rev. B 39, 4886 (1989) - Published 15 March, 1989

Mobility, interdiffusion, and tracer diffusion in lattice-gas models of two-component alloys

K. W. Kehr, K. Binder, and S. M. Reulein

Phys. Rev. B 39, 4891 (1989) - Published 15 March, 1989

Unoccupied surface states on Pd(111) observed in very-low-energy electron diffraction and inverse photoemission: Theoretical interpretation

J. Koukal, M. Šunjić, Z. Lenac, H. Conrad, W. Stenzel, and M. E. Kordesch

Phys. Rev. B 39, 4911 (1989) - Published 15 March, 1989

${Pd}_{2}$ : A dimer with two Kohn-Sham triplet ground states

Seongbok Lee, D. M. Bylander, and Leonard Kleinman

Phys. Rev. B 39, 4916 (1989) - Published 15 March, 1989

Ground-state properties of fcc and bcc lanthanum

Z. W. Lu, David J. Singh, and Henry Krakauer

Phys. Rev. B 39, 4921 (1989) - Published 15 March, 1989

Koshino-Taylor coefficient in electrical resistivity

G. D. Mahan and Zhongcheng Wang

Phys. Rev. B 39, 4926 (1989) - Published 15 March, 1989

Dynamic correlations in electron liquids. I. General formalism

Aiichiro Nakano and Setsuo Ichimaru

Phys. Rev. B 39, 4930 (1989) - Published 15 March, 1989

Dynamic correlations in electron liquids. II. Single-particle Green’s functions

Aiichiro Nakano and Setsuo Ichimaru

Phys. Rev. B 39, 4938 (1989) - Published 15 March, 1989

Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon systems

David L. Price and Bernard R. Cooper

Phys. Rev. B 39, 4945 (1989) - Published 15 March, 1989

Theoretical analysis of orbital and correlation effects on the electronic absorption spectrum of the ${MnS}_{4}$ center in zinc-blende crystals

J. W. Richardson and G. J. M. Janssen

Phys. Rev. B 39, 4958 (1989) - Published 15 March, 1989

Nonclassical particle dynamics in high magnetic fields

J. Riess

Phys. Rev. B 39, 4978 (1989) - Published 15 March, 1989

Electromigration and the local transport field in mesoscopic systems

Richard S. Sorbello

Phys. Rev. B 39, 4984 (1989) - Published 15 March, 1989

Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation

I. Štich, R. Car, M. Parrinello, and S. Baroni

Phys. Rev. B 39, 4997 (1989) - Published 15 March, 1989

Ground state of the two-dimensional electron gas

B. Tanatar and D. M. Ceperley

Phys. Rev. B 39, 5005 (1989) - Published 15 March, 1989

Interplay of surface misfit and monatomic steps on crystal surfaces. III. Model for the {110} surface of an anisotropic bcc crystal

Jan H. van der Merwe and Herbert Kunert

Phys. Rev. B 39, 5017 (1989) - Published 15 March, 1989

Direct determination of the self-diffusion mechanism in bcc β-titanium

G. Vogl, W. Petry, Th. Flottmann, and A. Heiming

Phys. Rev. B 39, 5025 (1989) - Published 15 March, 1989

First-principles total-energy study of hydrogen adsorption on Be(0001)

Rici Yu and Pui K. Lam

Phys. Rev. B 39, 5035 (1989) - Published 15 March, 1989

Lattice relaxation around substitutional defects in semiconductors

Friedhelm Bechstedt and Walter A. Harrison

Phys. Rev. B 39, 5041 (1989) - Published 15 March, 1989

Quantum Monte Carlo calculations of electron dynamics in dissipative solid-state systems using real-time path integrals

B. A. Mason and Karl Hess

Phys. Rev. B 39, 5051 (1989) - Published 15 March, 1989

Influence of thin interfacial silicon oxide layers on the Schottky-barrier behavior of Ti on Si(100)

M. O. Aboelfotoh

Phys. Rev. B 39, 5070 (1989) - Published 15 March, 1989

Schottky-barrier formation and atomic mixing at Au/ZnSe(100) and Co/ZnSe(100) interfaces with Co and Au interlayers

Steven G. Anderson, F. Xu, M. Vos, J. H. Weaver, and H. Cheng

Phys. Rev. B 39, 5079 (1989) - Published 15 March, 1989

Atom-resolved surface chemistry studied by scanning tunneling microscopy and spectroscopy

Ph. Avouris and R. Wolkow

Phys. Rev. B 39, 5091 (1989) - Published 15 March, 1989

Intense small wave-vector scattering from voids in amorphous silicon: A theoretical simulation

R. Biswas, I. Kwon, A. M. Bouchard, C. M. Soukoulis, and G. S. Grest

Phys. Rev. B 39, 5101 (1989) - Published 15 March, 1989

Dangling bonds in doped amorphous silicon: Equilibrium, relaxation, and transition energies

Howard M. Branz

Phys. Rev. B 39, 5107 (1989) - Published 15 March, 1989

Failure of the transitivity rule for (GaAs $)_{3}$ /(Ge $)_{6}$ (110) and (AlAs $)_{3}$ /(Ge $)_{6}$ (110) superlattice valence-band offsets

D. M. Bylander and Leonard Kleinman

Phys. Rev. B 39, 5116 (1989) - Published 15 March, 1989

Transient photomodulation spectroscopy of nanocrystalline hydrogenated silicon

Lingrong Chen, J. Tauc, and Z. Vardeny

Phys. Rev. B 39, 5121 (1989) - Published 15 March, 1989

Fermi-level pinning and intrinsic surface states in cleaved GaP

P. Chiaradia, M. Fanfoni, P. Nataletti, P. De Padova, L. J. Brillson, M. L. Slade, R. E. Viturro, D. Kilday, and G. Margaritondo

Phys. Rev. B 39, 5128 (1989) - Published 15 March, 1989

Correlated defect creation and dose-dependent radiation sensitivity in amorphous ${SiO}_{2}$

R. A. B. Devine and J. Arndt

Phys. Rev. B 39, 5132 (1989) - Published 15 March, 1989

Metastable conduction states in ${Mo}_{2}$ $S_{3}$ : Conductivity fluctuations

R. L. Fagerquist, Roger D. Kirby, and Edgar A. Pearlstein

Phys. Rev. B 39, 5139 (1989) - Published 15 March, 1989

Quantum lattice fluctuations and optical properties of nondegenerate conjugated polymers

B. Friedman and W. P. Su

Phys. Rev. B 39, 5152 (1989) - Published 15 March, 1989

Electron correlations in the ground state of silicon

M. V. Ganduglia-Pirovano, G. Stollhoff, P. Fulde, and K. P. Bohnen

Phys. Rev. B 39, 5156 (1989) - Published 15 March, 1989

Band-edge states in short-period (GaAs $)_{m}$ /(AlAs $)_{n}$ superlattices

Sudha Gopalan, N. E. Christensen, and M. Cardona

Phys. Rev. B 39, 5165 (1989) - Published 15 March, 1989

Optical and electrical studies of interface traps in the Si/ ${SiO}_{2}$ system by modified junction space-charge techniques

H. G. Grimmeiss, W. R. Buchwald, E. H. Poindexter, P. J. Caplan, M. Harmatz, G. J. Gerardi, D. J. Keeble, and N. M. Johnson

Phys. Rev. B 39, 5175 (1989) - Published 15 March, 1989

Inelastic electron scattering from the surfaces of semiconductor multilayers: Study of subband structure within the quantum well

Godfrey Gumbs

Phys. Rev. B 39, 5186 (1989) - Published 15 March, 1989

Magnetocapacitance measurements of subband separation in an accumulation layer on $n^{-}$ -type GaAs

T. W. Hickmott

Phys. Rev. B 39, 5198 (1989) - Published 15 March, 1989

Band-gap-dependent electron and hole transport in p-type HgTe-CdTe superlattices

C. A. Hoffman, J. R. Meyer, F. J. Bartoli, J. W. Han, J. W. Cook, Jr., J. F. Schetzina, and J. N. Schulman

Phys. Rev. B 39, 5208 (1989) - Published 15 March, 1989

Interaction of ${Si}_{2}$ $H_{6}$ with a Si(111)-77 surface

R. Imbihl, J. E. Demuth, S. M. Gates, and B. A. Scott

Phys. Rev. B 39, 5222 (1989) - Published 15 March, 1989

Cooling of hot carriers in three- and two-dimensional ${Ga}_{0.47}$ ${In}_{0.53}$ As

H. Lobentanzer, W. Stolz, J. Nagle, and K. Ploog

Phys. Rev. B 39, 5234 (1989) - Published 15 March, 1989

High-resolution electron-energy-loss spectroscopy study of the uv-laser photodissociation of adsorbed ${Al}_{2}$ ( ${CH}_{3}$ $)_{6}$ on Si(100)21 and Si(111)77 surfaces

D. Lubben, T. Motooka, J. E. Greene, and J. F. Wendelken

Phys. Rev. B 39, 5245 (1989) - Published 15 March, 1989

Photopyroelectric spectroscopy of a-Si:H thin semiconducting films on quartz

A. Mandelis, R. E. Wagner, K. Ghandi, R. Baltman, and Phat Dao

Phys. Rev. B 39, 5254 (1989) - Published 15 March, 1989

Lattice dynamics of Si calculated with a semiempirical approach

A. Mazur and J. Pollmann

Phys. Rev. B 39, 5261 (1989) - Published 15 March, 1989

Electronic structure of CdTe(110) as studied by angle-resolved photoemission

H. Qu, P. O. Nilsson, J. Kanski, and L. Ilver

Phys. Rev. B 39, 5276 (1989) - Published 15 March, 1989

Electron scattering by confined LO polar phonons in a quantum well

B. K. Ridley

Phys. Rev. B 39, 5282 (1989) - Published 15 March, 1989

Shallow positron traps in GaAs

K. Saarinen, P. Hautojärvi, A. Vehanen, R. Krause, and G. Dlubek

Phys. Rev. B 39, 5287 (1989) - Published 15 March, 1989

Local moments near the metal-insulator transition

Subir Sachdev

Phys. Rev. B 39, 5297 (1989) - Published 15 March, 1989

Spatially resolved and energy-resolved defect kinetics in a-Si:H: A comprehensive study by phase-shift analysis of modulated photocurrents

G. Schumm and G. H. Bauer

Phys. Rev. B 39, 5311 (1989) - Published 15 March, 1989

Electronic structures of polymeric ${CSe}_{2}$ , CSe, and $C_{2}$ Se

Michael Springborg

Phys. Rev. B 39, 5327 (1989) - Published 15 March, 1989

Binding energy of ionized-donor-bound excitons in two-dimensional semiconductors

L. Stauffer and B. Stebe

Phys. Rev. B 39, 5345 (1989) - Published 15 March, 1989

Correlations in phonon-transmission spectra in periodic and quasiperiodic superlattices

S. Tamura and T. Watanabe

Phys. Rev. B 39, 5349 (1989) - Published 15 March, 1989

Dependence of transient resonant-tunneling characteristics on barrier thickness in AlAs/GaAs multiple-quantum-well structures

Seigo Tarucha and Klaus Ploog

Phys. Rev. B 39, 5353 (1989) - Published 15 March, 1989

Thermal effects in the equilibrium structure and size distribution of small Si clusters

D. Tománek, C. Sun, N. Sharma, and L. Wang

Phys. Rev. B 39, 5361 (1989) - Published 15 March, 1989

Vibron solitons

Xidi Wang, David W. Brown, and Katja Lindenberg

Phys. Rev. B 39, 5366 (1989) - Published 15 March, 1989

Theory of anisotropic donor states in quantum-well structures

Jian-Bai Xia

Phys. Rev. B 39, 5386 (1989) - Published 15 March, 1989

Pseudo-Jahn-Teller effect for distortions involving oxygen and nitrogen impurities in silicon

Frederick G. Anderson

Phys. Rev. B 39, 5392 (1989) - Published 15 March, 1989

Molecular-dynamics simulation of positive-ion and neutral halogen desorption following Na K-shell Auger cascades in the NaF crystal

T. A. Green, M. E. Riley, and M. E. Coltrin

Phys. Rev. B 39, 5397 (1989) - Published 15 March, 1989

Auger-induced valence processes in alkali halides following alkali core-hole creation

T. A. Green, M. E. Riley, P. M. Richards, G. M. Loubriel, D. R. Jennison, and R. T. Williams

Phys. Rev. B 39, 5407 (1989) - Published 15 March, 1989

Thermal irreversibility in optically labeled low-temperature glasses

W. Köhler, J. Zollfrank, and J. Friedrich

Phys. Rev. B 39, 5414 (1989) - Published 15 March, 1989

Methane adsorbed on graphite. IV. Multilayer growth at low temperature

James M. Phillips and Christopher D. Hruska

Phys. Rev. B 39, 5425 (1989) - Published 15 March, 1989

Hydrogen-bond melting in B-DNA copolymers in a mean-field self-consistent phonon approach

V. V. Prabhu, L. Young, and E. W. Prohofsky

Phys. Rev. B 39, 5436 (1989) - Published 15 March, 1989

Intercalant vibrations in a graphite intercalation compound observed by infrared reflectivity at a graphite-germanium interface

Franz Jost, Yizhak Yacoby, Detlev Heitmann, and Siegmar Roth

Phys. Rev. B 39, 5444 (1989) - Published 15 March, 1989

Light-induced oxidation and band-edge shifts in thermally evaporated films of germanium chalcogenide glasses

C. A. Spence and S. R. Elliott

Phys. Rev. B 39, 5452 (1989) - Published 15 March, 1989

BRIEF REPORTS

Near-infrared photoluminescence bands in diamond

Yogesh K. Vohra, Craig A. Vanderborgh, Serge Desgreniers, and Arthur L. Ruoff

Phys. Rev. B 39, 5464 (1989) - Published 15 March, 1989

Localized-orbital approach to the electronic structure of anomalous muonium in diamond

Toshiharu Hoshino, Toshio Asada, and Kiyoyuki Terakura

Phys. Rev. B 39, 5468 (1989) - Published 15 March, 1989

Vibrational properties of large-period crystals with finite-range interactions

F. Mila and J. Szeftel

Phys. Rev. B 39, 5472 (1989) - Published 15 March, 1989

ERRATA

Erratum: Metal-insulator transitions in doped silicon and germanium

A. Ferreira da Silva

Phys. Rev. B 39, 5475 (1989) - Published 15 March, 1989

Erratum: Current- and spin-density-functional theory for inhomogeneous electronic systems in strong magnetic fields

G. Vignale and Mark Rasolt

Phys. Rev. B 39, 5475 (1989) - Published 15 March, 1989

RAPID COMMUNICATIONS

RAPID COMMUNICATION

Quantum bound states in a classically unbound system of crossed wires

R. L. Schult, D. G. Ravenhall, and H. W. Wyld

Phys. Rev. B 39, 5476(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Lack of mirror symmetry between x-ray absorption and emission edges of simple metals

P. A. Bruhwiler, Peteris Livins, and S. E. Schnatterly

Phys. Rev. B 39, 5480(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Conductance oscillations in two-dimensional Sharvin point contacts

E. G. Haanappel and D. van der Marel

Phys. Rev. B 39, 5484(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Spin-polarized metastable-atom deexcitation spectroscopy: A new probe of the dynamics of metastable-atom–surface interactions

M. W. Hart, M. S. Hammond, F. B. Dunning, and G. K. Walters

Phys. Rev. B 39, 5488(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Electronic structure of alkali-metal overlayers on the semi-infinite jellium surface

H. Ishida

Phys. Rev. B 39, 5492(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Scanning tunneling microscopy of charge-density waves in ${NbSe}_{3}$

C. G. Slough, B. Giambattista, A. Johnson, W. W. McNairy, and R. V. Coleman

Phys. Rev. B 39, 5496(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Structural effects on the superconducting and magnetic behavior of aluminum-rich metallic glasses

J. L. Wagner, K. M. Wong, F. S. Pierce, and S. J. Poon

Phys. Rev. B 39, 5500(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Lattice-recoil effects in stimulated desorption from metal surfaces

R. E. Walkup and Ph. Avouris

Phys. Rev. B 39, 5504(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Hall effect in quantum wires

Hiroshi Akera and Tsuneya Ando

Phys. Rev. B 39, 5508(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Coupling of excitons with free electrons in light scattering from GaAs quantum wells

G. Danan, A. Pinczuk, J. P. Valladares, L. N. Pfeiffer, K. W. West, and C. W. Tu

Phys. Rev. B 39, 5512(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Band-gap renormalization in quasi-two-dimensional systems induced by many-body electron-electron and electron-phonon interactions

S. Das Sarma, R. Jalabert, and S.-R. Eric Yang

Phys. Rev. B 39, 5516(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Core-level electron-energy-loss spectroscopy as a local probe for the electronic structure of the Co/Si(111) interface

M. De Crescenzi, J. Derrien, E. Chainet, and K. Orumchian

Phys. Rev. B 39, 5520(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Electronic structure of the single-domain Si(001)21-K surface

Y. Enta, S. Suzuki, S. Kono, and T. Sakamoto

Phys. Rev. B 39, 5524(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Radial distribution functions of amorphous silicon

J. Fortner and J. S. Lannin

Phys. Rev. B 39, 5527(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Excitonic transitions in strained-layer ${In}_{x}$ ${Ga}_{1 - x}$ As/InP quantum wells

D. Gershoni, H. Temkin, M. B. Panish, and R. A. Hamm

Phys. Rev. B 39, 5531(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Electronic transport through very short and narrow channels constricted in GaAs by highly resistive Ga-implanted regions

Y. Hirayama, T. Saku, and Y. Horikoshi

Phys. Rev. B 39, 5535(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Unification of the properties of the EL2 defect in GaAs

M. Hoinkis, E. R. Weber, W. Walukiewicz, J. Lagowski, M. Matsui, H. C. Gatos, B. K. Meyer, and J. M. Spaeth

Phys. Rev. B 39, 5538(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Many-polaron interaction effects in two dimensions

R. Jalabert and S. Das Sarma

Phys. Rev. B 39, 5542(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Pressure dependence of the valence-band discontinuity in GaAs/AlAs and GaAs/ ${Al}_{x}$ ${Ga}_{1 - x}$ As quantum-well structures

J. D. Lambkin, A. R. Adams, D. J. Dunstan, P. Dawson, and C. T. Foxon

Phys. Rev. B 39, 5546(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Symmetry of conduction states for GaAs-AlAs type-II superlattices under uniaxial stress

P. Lefebvre, B. Gil, H. Mathieu, and R. Planel

Phys. Rev. B 39, 5550(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Electron-paramagnetic-resonance measurements of Si-donor-related levels in ${Al}_{x}$ ${Ga}_{1 - x}$ As

P. M. Mooney, W. Wilkening, U. Kaufmann, and T. F. Kuech

Phys. Rev. B 39, 5554(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Phonon sideband of photoluminescence as a probe of exciton states in a quantum well

K. J. Nash, M. S. Skolnick, P. A. Claxton, and J. S. Roberts

Phys. Rev. B 39, 5558(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Excitons associated with subband dispersion in GaAs/ ${Al}_{x}$ ${Ga}_{1 - x}$ As superlattices

J. J. Song, P. S. Jung, Y. S. Yoon, Hanyou Chu, Yia-Chung Chang, and C. W. Tu

Phys. Rev. B 39, 5562(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

J. Tersoff

Phys. Rev. B 39, 5566(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Surface rotational phonon and its role in the reconstruction of cleavage surfaces of tetrahedrally coordinated compound semiconductors

Y. R. Wang and C. B. Duke

Phys. Rev. B 39, 5569(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Band bending and the apparent barrier height in scanning tunneling microscopy

M. Weimer, J. Kramar, and J. D. Baldeschwieler

Phys. Rev. B 39, 5572(R) (1989) - Published 15 March, 1989

RAPID COMMUNICATION

Metallic properties of the Ge(001) surface

H. J. W. Zandvliet, A. van Silfhout, and M. J. Sparnaay

Phys. Rev. B 39, 5576(R) (1989) - Published 15 March, 1989