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Physical Review B

Volume 54, Issue 11

15 September 1996
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BRIEF REPORTS

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

Analytical expression for the optimized stop bands of fcc photonic crystals in the scalar-wave approximation

İ. İnanç Tarhan and George H. Watson

Phys. Rev. B 54, 7593 (1996) - Published 15 September, 1996

Symmetrized density-matrix renormalization-group method for excited states of Hubbard models

S. Ramasesha, Swapan K. Pati, H. R. Krishnamurthy, Z. Shuai, and J. L. Brédas

Phys. Rev. B 54, 7598 (1996) - Published 15 September, 1996

Adaptive finite-element method for electronic-structure calculations

Eiji Tsuchida and Masaru Tsukada

Phys. Rev. B 54, 7602 (1996) - Published 15 September, 1996

Enhancement of the Kondo temperature of magnetic impurities in metallic point contacts due to the fluctuations of the local density of states

G. Zaránd and L. Udvardi

Phys. Rev. B 54, 7606 (1996) - Published 15 September, 1996

Shallow and deep traps in conjugated polymers of high intrachain order

W. Graupner, G. Leditzky, G. Leising, and U. Scherf

Phys. Rev. B 54, 7610 (1996) - Published 15 September, 1996

Spin susceptibility and magnetic short-range order in the Hubbard model

U. Trapper, D. Ihle, and H. Fehske

Phys. Rev. B 54, 7614 (1996) - Published 15 September, 1996

Semiconductors I: bulk

Structural and vibrational properties of complexes formed by hydrogen and As antisites in gallium arsenide

A. Amore Bonapasta

Phys. Rev. B 54, 7618 (1996) - Published 15 September, 1996

Cathodoluminescence and photoinduced current spectroscopy studies of defects in Cd0.8Zn0.2Te

A. Castaldini, A. Cavallini, B. Fraboni, L. Polenta, P. Fernandez, and J. Piqueras

Phys. Rev. B 54, 7622 (1996) - Published 15 September, 1996

Jahn-Teller effect in ZnS:Fe2+ revisited with a modified Lanczos-type algorithm

G. Bevilacqua, L. Martinelli, and G. Pastori Parravicini

Phys. Rev. B 54, 7626 (1996) - Published 15 September, 1996

Thermopower and conductivity activation energies in hydrogenated amorphous silicon

H. M. Dyalsingh and J. Kakalios

Phys. Rev. B 54, 7630 (1996) - Published 15 September, 1996

EPR study of the hyperfine structure of Yb3+ ion in Pb1−xYbxS, Pb1−xYbxSe, and Pb1−xYbxTe single crystals

Samih Isber, Salam Charar, Xavier Gratens, Claude Fau, Michel Averous, Sushil K. Misra, and Zbiniew Golacki

Phys. Rev. B 54, 7634 (1996) - Published 15 September, 1996

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

Smooth monolayer As- and Ga-terminated GaAs(100) surfaces

M.-H. Tsai, C. F. Liu, and C. S. Chang

Phys. Rev. B 54, 7637 (1996) - Published 15 September, 1996

Green’s function of a two-dimensional interacting electron gas in a perpendicular magnetic field

Xiaoguang Wu

Phys. Rev. B 54, 7640 (1996) - Published 15 September, 1996

Temperature and excitation intensity dependencies of the photoluminescence spectra of GaAs/(AlGa)As disordered superlattices

V. Capozzi, G. F. Lorusso, D. Martin, G. Perna, and J. L. Staehli

Phys. Rev. B 54, 7643 (1996) - Published 15 September, 1996

Drift current and thermal pressure effects in the electromagnetic instabilities of periodic semiconductor superlattices

Carlos I. Mendoza, Marcelo del Castillo-Mussot, and Gerardo J. Vázquez

Phys. Rev. B 54, 7647 (1996) - Published 15 September, 1996

Direct manifestation of the Fermi pressure in a two-dimensional electron system

J. Nehls, T. Schmidt, U. Merkt, D. Heitmann, A. G. Norman, and R. A. Stradling

Phys. Rev. B 54, 7651 (1996) - Published 15 September, 1996

Quantum-group treatment of substrate potential in the integer quantum Hall effect

Guang-Hong Chen and Mo-Lin Ge

Phys. Rev. B 54, 7654 (1996) - Published 15 September, 1996

Low-temperature electron mobility in a real δ-doped semiconductor

L. R. González, J. Krupski, and T. Szwacka

Phys. Rev. B 54, 7658 (1996) - Published 15 September, 1996

Saturation of the internal photoemission effect in forward biased silicon junctions

M. López Sáenz and J. M. Guerra Pérez

Phys. Rev. B 54, 7662 (1996) - Published 15 September, 1996

Electronic structure of semiconductor quantum wells in a tilted magnetic field

D. M. Mitrinović, V. Milanović, and Z. Ikonić

Phys. Rev. B 54, 7666 (1996) - Published 15 September, 1996

Tunneling calculations for systems with singular coupling matrices: Results for a simple model

Timothy B. Boykin

Phys. Rev. B 54, 7670 (1996) - Published 15 September, 1996

Frozen electron solid in the presence of small concentrations of defects

J. S. Thakur and D. Neilson

Phys. Rev. B 54, 7674 (1996) - Published 15 September, 1996

Oscillator strengths for optical band-to-band processes in GaN epilayers

Bernard Gil, Fayçal Hamdani, and Hadis Morkoç

Phys. Rev. B 54, 7678 (1996) - Published 15 September, 1996

Type-II interface exciton in ZnSe/(Zn,Mn)Se heterostructures

V. V. Rossin, T. Böttger, and F. Henneberger

Phys. Rev. B 54, 7682 (1996) - Published 15 September, 1996

Si 2p core-level shifts at the Si(100)-SiO2 interface: An experimental study

K. Z. Zhang, M. M. Banaszak Holl, J. E. Bender, IV, S. Lee, and F. R. McFeely

Phys. Rev. B 54, 7686 (1996) - Published 15 September, 1996

Surface physics, low-dimensional systems, and related topics

Shapes of He3 clusters

Constantine Yannouleas and Uzi Landman

Phys. Rev. B 54, 7690 (1996) - Published 15 September, 1996

Hexagonal phase with mosaic structure of charge-density waves observed by scanning tunneling microscopy at the surface of a NbSe3 crystal

I. B. Altfeder and S. V. Zaitsev-Zotov

Phys. Rev. B 54, 7694 (1996) - Published 15 September, 1996

Adhesive energy and charge transfer for MgO/Cu heterophase interfaces

R. Benedek, M. Minkoff, and L. H. Yang

Phys. Rev. B 54, 7697 (1996) - Published 15 September, 1996

Adsorption and desorption kinetics of CO on Cu(110) studied by optical differential reflectance

X. F. Jin, M. Y. Mao, S. Ko, and Y. R. Shen

Phys. Rev. B 54, 7701 (1996) - Published 15 September, 1996

Initial growth of insulating overlayers of NaCl on Ge(100) observed by scanning tunneling microscopy with atomic resolution

K. Glöckler, M. Sokolowski, A. Soukopp, and E. Umbach

Phys. Rev. B 54, 7705 (1996) - Published 15 September, 1996

Nucleation and growth of Si/Si(111) observed by scanning tunneling microscopy during epitaxy

Bert Voigtländer and Thomas Weber

Phys. Rev. B 54, 7709 (1996) - Published 15 September, 1996

Surface-induced broadening of photoemission core levels

M. Zacchigna, C. Astaldi, K. C. Prince, M. Sastry, C. Comicioli, M. Evans, R. Rosei, C. Quaresima, C. Ottaviani, C. Crotti, M. Matteucci, and P. Perfetti

Phys. Rev. B 54, 7713 (1996) - Published 15 September, 1996

Nonlocal screening effects in 2p x-ray photoemission spectroscopy of NiO (100)

D. Alders, F. C. Voogt, T. Hibma, and G. A. Sawatzky

Phys. Rev. B 54, 7716 (1996) - Published 15 September, 1996

ARTICLES

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

Theory of the Seebeck coefficient in LaCrO3 and related perovskite systems

D. B. Marsh and P. E. Parris

Phys. Rev. B 54, 7720 (1996) - Published 15 September, 1996

Spherical self-consistent atomic deformation model for first-principles energy calculations in ionic crystalline solids

Harold T. Stokes, L. L. Boyer, and M. J. Mehl

Phys. Rev. B 54, 7729 (1996) - Published 15 September, 1996

Composite quasiparticle formation and the low-energy effective Hamiltonians for the one- and two-dimensional Hubbard model

Junwu Gan, Dung-Hai Lee, and Per Hedegård

Phys. Rev. B 54, 7737 (1996) - Published 15 September, 1996

Self-consistent GW and higher-order calculations of electron states in metals

Eric L. Shirley

Phys. Rev. B 54, 7758 (1996) - Published 15 September, 1996

Path-integral analysis of the exchange-correlation energy and potential in density-functional theory: Unpolarized systems

M. Valiev and G. W. Fernando

Phys. Rev. B 54, 7765 (1996) - Published 15 September, 1996

Metal-insulator transitions due to self-doping

Stefan Blawid, Hoang Anh Tuan, Takashi Yanagisawa, and Peter Fulde

Phys. Rev. B 54, 7771 (1996) - Published 15 September, 1996

Vacancies, interstitials, and close Frenkel pairs on the zinc sublattice of ZnSe

F. C. Rong, W. A. Barry, J. F. Donegan, and G. D. Watkins

Phys. Rev. B 54, 7779 (1996) - Published 15 September, 1996

Exchange and radiative lifetimes for close Frenkel pairs on the zinc sublattice of ZnSe

W. A. Barry and G. D. Watkins

Phys. Rev. B 54, 7789 (1996) - Published 15 September, 1996

Electronic properties of TiSi2 single crystals at low temperatures

M. Affronte, O. Laborde, J. C. Lasjaunias, U. Gottlieb, and R. Madar

Phys. Rev. B 54, 7799 (1996) - Published 15 September, 1996

Photoemission study of electronic structures of disordered Ni-Pt and Cu-Pt alloys

Tschang-Uh Nahm, Jae-Young Kim, S.-J. Oh, S.-M. Chung, J.-H. Park, J. W. Allen, K. Jeong, and Sehun Kim

Phys. Rev. B 54, 7807 (1996) - Published 15 September, 1996

Electronic structure of La1−xSrxCrO3

K. Maiti and D. D. Sarma

Phys. Rev. B 54, 7816 (1996) - Published 15 September, 1996

Excited states in metal voids

Raphael de Haro, Jr. and João da Providência, Jr.

Phys. Rev. B 54, 7823 (1996) - Published 15 September, 1996

Infrared intensities and Raman-scattering activities within density-functional theory

Dirk Porezag and Mark R. Pederson

Phys. Rev. B 54, 7830 (1996) - Published 15 September, 1996

Microcavities in photonic crystals: Mode symmetry, tunability, and coupling efficiency

Pierre R. Villeneuve, Shanhui Fan, and J. D. Joannopoulos

Phys. Rev. B 54, 7837 (1996) - Published 15 September, 1996

Point-charge electrostatics in disordered alloys

C. Wolverton, Alex Zunger, S. Froyen, and S.-H. Wei

Phys. Rev. B 54, 7843 (1996) - Published 15 September, 1996

First-principles study of titanium oxides

Chinmong Leung, M. Weinert, Philip B. Allen, and Renata M. Wentzcovitch

Phys. Rev. B 54, 7857 (1996) - Published 15 September, 1996

Thermodynamics of the Falicov-Kimball model

Pavol Farkašovský

Phys. Rev. B 54, 7865 (1996) - Published 15 September, 1996

Semiconductors I: bulk

Nitrogen-related dopant and defect states in CVD diamond

E. Rohrer, C. F. O. Graeff, R. Janssen, C. E. Nebel, M. Stutzmann, H. Güttler, and R. Zachai

Phys. Rev. B 54, 7874 (1996) - Published 15 September, 1996

ARTICLES

Hydrogen-related defects in polycrystalline CVD diamond

X. Zhou, G. D. Watkins, K. M. McNamara Rutledge, R. P. Messmer, and Sanjay Chawla

Phys. Rev. B 54, 7881 (1996) - Published 15 September, 1996

ARTICLES

Semiconductors I: bulk

Optimized effective-potential calculations of Ge and GaAs

D. M. Bylander and Leonard Kleinman

Phys. Rev. B 54, 7891 (1996) - Published 15 September, 1996

Fe, Ru, and Os disilicides: Electronic structure of ordered compounds

J. van Ek, P. E. A. Turchi, and P. A. Sterne

Phys. Rev. B 54, 7897 (1996) - Published 15 September, 1996

Metastable defect complexes in GaAs

S. Pöykkö, M. J. Puska, M. Alatalo, and R. M. Nieminen

Phys. Rev. B 54, 7909 (1996) - Published 15 September, 1996

Electric and magnetic dipole two-photon absorption in semiconductors

J. S. Michaelis, K. Unterrainer, E. Gornik, and E. Bauser

Phys. Rev. B 54, 7917 (1996) - Published 15 September, 1996

Resonant Raman scattering probe of alloying effect in GaAs1−xPx ternary alloy semiconductors

C. Ramkumar, K. P. Jain, and S. C. Abbi

Phys. Rev. B 54, 7921 (1996) - Published 15 September, 1996

Picosecond and millisecond dynamics of photoexcited carriers in porous silicon

P. Malý, F. Trojánek, J. Kudrna, A. Hospodková, S. Banáš, V. Kohlová, J. Valenta, and I. Pelant

Phys. Rev. B 54, 7929 (1996) - Published 15 September, 1996

Real-space Green’s-function approach applied to the phonon spectra of isolated impurities

John J. Sinai

Phys. Rev. B 54, 7937 (1996) - Published 15 September, 1996

Electronic conduction above 4 K of slightly reduced oxygen-deficient rutile TiO2−x

Eiichi Yagi, Ryukiti R. Hasiguti, and Masakazu Aono

Phys. Rev. B 54, 7945 (1996) - Published 15 September, 1996

Carrier transport in amorphous silicon-based thin-film transistors studied by spin-dependent transport

Genshiro Kawachi, Carlos F. O. Graeff, Martin S. Brandt, and Martin Stutzmann

Phys. Rev. B 54, 7957 (1996) - Published 15 September, 1996

Effects of quantum fluctuations of electrons and lattice in doped polyacetylene

Akira Takahashi

Phys. Rev. B 54, 7965 (1996) - Published 15 September, 1996

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

Donor activation and electronic screening at an antimony δ layer in silicon

J. M. C. Thornton, R. J. Cole, D. J. Gravesteijn, and P. Weightman

Phys. Rev. B 54, 7972 (1996) - Published 15 September, 1996

Analysis of capacitance-voltage characteristics of Si1−xGex/Si quantum-well structures

J. B. Wang, F. Lu, S. K. Zhang, B. Zhang, D. W. Gong, H. H. Sun, and Xun Wang

Phys. Rev. B 54, 7979 (1996) - Published 15 September, 1996

Simulation studies of photon-assisted quantum transport

Kousuke Yakubo, Shechao Feng, and Qing Hu

Phys. Rev. B 54, 7987 (1996) - Published 15 September, 1996

Electronic structure of a Si δ-doped layer in a GaAs/AlxGa1−xAs/GaAs quantum barrier

J. M. Shi, P. M. Koenraad, A. F. W. van de Stadt, F. M. Peeters, J. T. Devreese, and J. H. Wolter

Phys. Rev. B 54, 7996 (1996) - Published 15 September, 1996

Carrier-carrier scattering in the gain dynamics of InxGa1−xAs/AlyGa1−yAs diode lasers

G. D. Sanders, C.-K. Sun, B. Golubovic, J. G. Fujimoto, and C. J. Stanton

Phys. Rev. B 54, 8005 (1996) - Published 15 September, 1996

Quantum interference effects in antidot lattices in magnetic fields

Takeshi Nakanishi and Tsuneya Ando

Phys. Rev. B 54, 8021 (1996) - Published 15 September, 1996

First-principles studies of hydrogenated Si(111)-7×7

D. R. Alfonso, C. Noguez, D. A. Drabold, and S. E. Ulloa

Phys. Rev. B 54, 8028 (1996) - Published 15 September, 1996

Exchange-correlation energy for a two-dimensional electron gas in a magnetic field

Rodney Price and S. Das Sarma

Phys. Rev. B 54, 8033 (1996) - Published 15 September, 1996

Electronic transport in quantum wires in nonuniform magnetic fields

Zhen-Li Ji and D. W. L. Sprung

Phys. Rev. B 54, 8044 (1996) - Published 15 September, 1996

Theoretical study on commensurability oscillation in anisotropic antidot lattices

Wenchang Lu

Phys. Rev. B 54, 8049 (1996) - Published 15 September, 1996

Plasmon-pole approximation for semiconductor quantum-wire electrons

S. Das Sarma, E. H. Hwang, and Lian Zheng

Phys. Rev. B 54, 8057 (1996) - Published 15 September, 1996

Separation of the sp3 and sp2 components in the C1s photoemission spectra of amorphous carbon films

Javier Díaz, Guido Paolicelli, Salvador Ferrer, and Fabio Comin

Phys. Rev. B 54, 8064 (1996) - Published 15 September, 1996

Comparison of self-consistency iteration options for the Wigner function method of quantum device simulation

B. A. Biegel and J. D. Plummer

Phys. Rev. B 54, 8070 (1996) - Published 15 September, 1996

Exciton-polariton ladder in a semiconductor microcavity

H. Cao, S. Pau, Y. Yamamoto, and G. Björk

Phys. Rev. B 54, 8083 (1996) - Published 15 September, 1996

Mechanisms for optical nonlinearities and ultrafast carrier dynamics in CuxS nanocrystals

Victor I. Klimov and Vladimir A. Karavanskii

Phys. Rev. B 54, 8087 (1996) - Published 15 September, 1996

Thermodynamics of a one-dimensional lattice system with long-range interelectron repulsion

V. V. Slavin and A. A. Slutskin

Phys. Rev. B 54, 8095 (1996) - Published 15 September, 1996

Persistent current in disordered Aharonov-Bohm rings with interacting electrons

Qianghua Wang, Z. D. Wang, and Jian-Xin Zhu

Phys. Rev. B 54, 8101 (1996) - Published 15 September, 1996

Generalized eigenproblem method for surface and interface states: The complex bands of GaAs and AlAs

Timothy B. Boykin

Phys. Rev. B 54, 8107 (1996) - Published 15 September, 1996

Electric field effects on excitons in gallium nitride

F. Binet, J. Y. Duboz, E. Rosencher, F. Scholz, and V. Härle

Phys. Rev. B 54, 8116 (1996) - Published 15 September, 1996

Dynamic response of a two-dimensional electron gas: Effect of short-range correlations in the ladder approximation

K. Takayanagi and E. Lipparini

Phys. Rev. B 54, 8122 (1996) - Published 15 September, 1996

Dynamic admittance of mesoscopic conductors: Discrete-potential model

A. Prêtre, H. Thomas, and M. Büttiker

Phys. Rev. B 54, 8130 (1996) - Published 15 September, 1996

Distribution of transmitted charge through a double-barrier junction

M. J. M. de Jong

Phys. Rev. B 54, 8144 (1996) - Published 15 September, 1996

Surface physics, low-dimensional systems, and related topics

Diffuse scattering from interface roughness in grazing-incidence x-ray diffraction

S. A. Stepanov, E. A. Kondrashkina, M. Schmidbauer, R. Köhler, J.-U. Pfeiffer, T. Jach, and A. Yu. Souvorov

Phys. Rev. B 54, 8150 (1996) - Published 15 September, 1996

Growth of Ag on Cu(100) studied by STM: From surface alloying to Ag superstructures

P. T. Sprunger, E. Lægsgaard, and F. Besenbacher

Phys. Rev. B 54, 8163 (1996) - Published 15 September, 1996

Direct reconstruction of three-dimensional atomic adsorption sites by holographic LEED

D. K. Saldin, K. Reuter, P. L. De Andres, H. Wedler, X. Chen, J. B. Pendry, and K. Heinz

Phys. Rev. B 54, 8172 (1996) - Published 15 September, 1996

Localization phenomena in elastic surface-polariton scattering caused by surface roughness

Sergey I. Bozhevolnyi

Phys. Rev. B 54, 8177 (1996) - Published 15 September, 1996

Calculation of the dielectric constant of monolayer films on a material surface

Mitsumasa Iwamoto, Yoshinobu Mizutani, and Akihiko Sugimura

Phys. Rev. B 54, 8186 (1996) - Published 15 September, 1996

Dielectric behavior of organic monolayers due to orientational phase transition

Mitsumasa Iwamoto, Chen-Xu Wu, and Woo-Yoen Kim

Phys. Rev. B 54, 8191 (1996) - Published 15 September, 1996

Buckled reconstruction of the alkali-metal (Na, K)-adsorbed Si(111)-(3×1) surfaces

Sukmin Jeong and Myung-Ho Kang

Phys. Rev. B 54, 8196 (1996) - Published 15 September, 1996

Ab initio theory of surface segregation: Self-consistent determination of the concentration profile

V. Drchal, J. Kudrnovský, A. Pasturel, I. Turek, and P. Weinberger

Phys. Rev. B 54, 8202 (1996) - Published 15 September, 1996

Membranes on rough self-affine surfaces

G. Palasantzas and G. Backx

Phys. Rev. B 54, 8213 (1996) - Published 15 September, 1996

Statistics of three-dimensional island growth for a reactive interface: Ni/GaAs(110)

P. E. Quesenberry and P. N. First

Phys. Rev. B 54, 8218 (1996) - Published 15 September, 1996

Plasma instabilities in a steady-state nonequilibrium one-dimensional solid-state plasma of finite length

K. Kempa, P. Bakshi, and E. Gornik

Phys. Rev. B 54, 8231 (1996) - Published 15 September, 1996

Optical properties of self-affine thin films

Vladimir M. Shalaev, R. Botet, J. Mercer, and E. B. Stechel

Phys. Rev. B 54, 8235 (1996) - Published 15 September, 1996

Interactions of hydrogen and methyl radicals with diamond C(111) studied by sum-frequency vibrational spectroscopy

R. P. Chin, J. Y. Huang, Y. R. Shen, T. J. Chuang, and H. Seki

Phys. Rev. B 54, 8243 (1996) - Published 15 September, 1996

Friction on adsorbed monolayers

Elizabeth D. Smith, Mark O. Robbins, and Marek Cieplak

Phys. Rev. B 54, 8252 (1996) - Published 15 September, 1996

ERRATA

Erratum: High-current ballistic transport through variable-width constrictions in a high-mobility two-dimensional electron gas

R. I. Hornsey, A. M. Marsh, J. R. A. Cleaver, and H. Ahmed

Phys. Rev. B 54, 8261 (1996) - Published 15 September, 1996

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