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1 Oct 1998

Volume 84, Issue 7, pp. 3437-4024

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Effect of the silicon/oxide interface on interstitials: Di-interstitial recombination

M. E. Law, Y. M. Haddara, and K. S. Jones

J. Appl. Phys. 84, 3555 (1998); http://dx.doi.org/10.1063/1.368530 (6 pages) | Cited 7 times

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Interstitials can recombine at an oxide/silicon interface. Previous experimental work produces contradictory results. Transient enhanced diffusion experiments suggest a nearly infinite surface recombination rate, while oxidation enhanced diffusion suggests a much weaker recombination rate. A di-interstitial mechanism is investigated, and analytic solutions are developed. This is compared to the more commonly used interstitial mechanism. The di-interstitial mechanism can account for most of the discrepancy in the data. © 1998 American Institute of Physics.
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68.35.Ct Interface structure and roughness
61.72.J- Point defects and defect clusters
68.35.Fx Diffusion; interface formation
61.72.Bb Theories and models of crystal defects

Thermal donor formation and annihilation at temperatures above 500 °C in Czochralski-grown Si

W. Götz, G. Pensl, W. Zulehner, R. C. Newman, and S. A. McQuaid

J. Appl. Phys. 84, 3561 (1998); http://dx.doi.org/10.1063/1.368586 (8 pages) | Cited 8 times

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Thermal donors (TDs) are generated in Czochralski (CZ)-grown silicon by heat treatments around 450 °C. They form several individual effective-mass-like donors with slightly different ionization energies and act as double donors (TDx0,TDx+). Heat treatments at elevated temperatures (e.g., >500 °C) lead to a competition of the formation and the annihilation of TDs. We studied the formation and the annihilation of TDs in the temperature range between 520 and 700 °C. CZ-grown Si samples with an initial total TD concentration of ∼ 5×1015 cm−3 were employed to study the annihilation of TDs. The number of interstitial oxygen atoms generated per annihilated TD center depends on the temperature and ranges from 4 to 24. For the temperature range investigated the activation energy for thermal annihilation of TDs was determined to be 2.5±0.4 eV. The same CZ-Si material but with an initial TD concentration of ∼ 2×1013 cm−3 was used to study the formation of TDs. During annealing, the concentrations of individual TDs reach equilibrium concentrations, which depend on the temperature of the final annealing step and the total oxygen concentration. We demonstrate that a model in which the individual TDx centers are represented by oxygen clusters of different sizes consistently explains our experimental data. © 1998 American Institute of Physics.
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81.05.Cy Elemental semiconductors
61.72.Cc Kinetics of defect formation and annealing
81.10.Fq Growth from melts; zone melting and refining
72.80.Cw Elemental semiconductors
81.40.Gh Other heat and thermomechanical treatments

Infrared studies of defects formed during postirradiation anneals of Czochralski silicon

C. A. Londos, N. V. Sarlis, and L. G. Fytros

J. Appl. Phys. 84, 3569 (1998); http://dx.doi.org/10.1063/1.368531 (5 pages) | Cited 3 times

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This article reports on defect studies of neutron-irradiated Czochralski-grown silicon (Cz-Si) material by means of infrared spectroscopy. In particular, the investigation was focused on the evolution of the 828 cm−1 well-known band of A-center, due to isochronal anneals from room temperature (RT) up to ≈ 700 °C. The strength of the VO band begins to increase above ≈ 200 gradually up to 300 °C (stage I); then, it begins to decrease up to ≈ 400 °C (stage II), where upon it stabilizes up to ≈ 550 °C (stage III). Upon re-irradiation under exactly the same conditions and repeating the annealing process, the increase of the VO signal in stage I disappears. The phenomenon is ascribed to the existence of defect aggregates labeled as Xi centers which are correlated with (impurity-defect) clusters that compete with Oi in capturing vacancies. The presence of Xi centers is related to the thermal annealings performed. Comparison of the evolution of VO (828 cm−1) and VO2 (887 cm−1) bands between irradiated and re-irradiated materials, during stage II, is made and the results are discussed in the framework of established reaction patterns. The stabilization of the amplitude of the 828 cm−1 line in stage III is examined. The prevailing aspect is that a portion of A-centers in neutron-irradiated Si acquires larger thermal stability by relaxing in the vicinity of larger defects. © 1998 American Institute of Physics.
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78.30.Am Elemental semiconductors and insulators
61.72.Cc Kinetics of defect formation and annealing
61.80.Hg Neutron radiation effects
61.72.J- Point defects and defect clusters
61.72.Yx Interaction between different crystal defects; gettering effect

Discrete meso-dynamic simulation of thermal explosion in shear bands

S. Tamura and Y. Horie

J. Appl. Phys. 84, 3574 (1998); http://dx.doi.org/10.1063/1.368532 (7 pages) | Cited 5 times

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A two-dimensional discrete element code (DM2), was used to model a complex interplay of deformation and chemical reaction in a region of localized shear at the particle level. Two exothermic mixtures of Nb–Si and Ni–Al particles having dimensions of 5 μm×25 μm were considered. Computational experiments showed that the mixtures exhibit a classical phenomenon of thermal explosion under high rates of shearing. The threshold shear rates were found to be approximately 1.2×108/s and 8.0×107/s for the Nb–Si and Ni–Al mixtures, respectively. The ignition conditions were sensitive to the thermal boundary conditions and the computationally observed values are considered to be the upper limits. The thermal explosion results from the interaction of mechanical mass mixing and heating that were primarily caused by thinning (plastic deformation) and fragmentation. The modeling showed an interesting result: that there is a ratio of fracture strengths that maximizes the mass mixing. © 1998 American Institute of Physics.
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81.05.Bx Metals, semimetals, and alloys
81.20.Ev Powder processing: powder metallurgy, compaction, sintering, mechanical alloying, and granulation
82.30.-b Specific chemical reactions; reaction mechanisms
62.20.F- Deformation and plasticity
81.40.Lm Deformation, plasticity, and creep
62.20.M- Structural failure of materials
81.40.Np Fatigue, corrosion fatigue, embrittlement, cracking, fracture, and failure
82.33.Vx Reactions in flames, combustion, and explosions
64.75.-g Phase equilibria

Monomer-liquid crystal emulsions for switchable films

G. De Filpo, J. Lanzo, F. P. Nicoletta, and G. Chidichimo

J. Appl. Phys. 84, 3581 (1998); http://dx.doi.org/10.1063/1.368533 (5 pages) | Cited 21 times

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We have followed the phase separation process in mixtures of an organic monomer and nematic liquid crystals at different cooling rates. Systems form liquid crystal droplets in a liquid crystal-saturated monomer matrix and in some cases emulsions are stable over several months. Homogeneous droplet size distributions are obtained for faster cooling rates. We report the droplet size distribution, the behavior of the critical solution temperature as a function of liquid crystal content, and some electro-optical properties of different emulsions. The long stability and the electro-optical response show that such systems could be used as promising, low voltage, switchable films. © 1998 American Institute of Physics.
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82.70.Kj Emulsions and suspensions
83.80.Xz Liquid crystals: nematic, cholesteric, smectic, discotic, etc.
78.66.Qn Polymers; organic compounds
78.20.Jq Electro-optical effects
64.70.M- Transitions in liquid crystals

A least squares method for fitting diffusion data to the Whipple/Suzuoka equations for grain boundary diffusion

D. Shaw and T. L. Shaw

J. Appl. Phys. 84, 3586 (1998); http://dx.doi.org/10.1063/1.368534 (7 pages) | Cited 1 time

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A least squares computational method, GBFIT, of fitting experimental diffusion data to the Whipple/Suzuoka equations for grain boundary diffusion is described. The basic equations have been extended to include diffusion within the grain boundary so that GBFIT is applicable to Harrison’s type B and/or C kinetics. GBFIT contains no approximations or assumptions, other than those made by Whipple, and requires the grain boundary half-width, a, the volume diffusivity, D, and anneal time, t, to be specified for a given data set. The fitting parameters are L, the half distance between parallel grain boundaries, and D′/D where D′ is the diffusivity in the grain boundary. Examples of the use of GBFIT are presented in which experimental diffusion profiles in polycrystals and bicrystals, taken from the literature, are analyzed. © 1998 American Institute of Physics.
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66.30.Dn Theory of diffusion and ionic conduction in solids
61.72.Mm Grain and twin boundaries
61.72.Cc Kinetics of defect formation and annealing
81.40.Gh Other heat and thermomechanical treatments

Arsenic deactivation enhanced diffusion: A time, temperature, and concentration study

P. M. Rousseau, P. B. Griffin, W. T. Fang, and J. D. Plummer

J. Appl. Phys. 84, 3593 (1998); http://dx.doi.org/10.1063/1.368593 (9 pages) | Cited 43 times

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The electrical deactivation of arsenic in silicon has been studied with regard to its effect on enhanced diffusion. Experimental structures consist of a buried boron layer as an interstitial detector, and a fully activated arsenic doped laser annealed surface layer. As these structures are annealed at temperatures between 500 and 750 °C, arsenic in the surface layer deactivates and we observe enhanced diffusion of the buried boron layer. A study with time reveals that the enhanced diffusion transient and the deactivation transient are similar, indicating a strong correlation between both phenomena. The dependence on concentration shows a maximum enhanced diffusion for concentrations between 3 and 4×1020 cm−3 of initially active arsenic. Above these concentrations, the large supersaturation of interstitials nucleates dislocation loops and lowers the overall enhancement measured in the buried boron layer. Temperature data show that even for temperatures as low as 500 °C, enhanced diffusion is observed. These data are convincing evidence that the enhanced diffusion observed is due to the deactivation of arsenic and provides important insights into the mechanisms of deactivation. We propose that arsenic deactivation forms small clusters of various sizes around a vacancy with the injection of an associated interstitial into the bulk. © 1998 American Institute of Physics.
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66.30.J- Diffusion of impurities
68.35.Fx Diffusion; interface formation
61.72.J- Point defects and defect clusters
61.72.Bb Theories and models of crystal defects
61.72.Lk Linear defects: dislocations, disclinations
66.30.Ny Chemical interdiffusion; diffusion barriers

Thermal diffusivity measurement of solid materials by the pulsed photothermal displacement technique

G. L. Bennis, R. Vyas, R. Gupta, S. Ang, and W. D. Brown

J. Appl. Phys. 84, 3602 (1998); http://dx.doi.org/10.1063/1.368535 (9 pages) | Cited 14 times

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A simple, noncontact technique for the measurement of thermal diffusivity of solids is experimentally demonstrated. The technique is based on the photothermal displacement effect. Excellent agreement between the quasistatic theory of photothermal displacement and the experiment has been obtained. The technique has been demonstrated by measuring the thermal diffusivities of GaAs and InGaAs/AlGaAs multiple quantum wells. © 1998 American Institute of Physics.
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66.70.-f Nonelectronic thermal conduction and heat-pulse propagation in solids; thermal waves
07.20.-n Thermal instruments and apparatus
65.90.+i Other topics in thermal properties of condensed matter (restricted to new topics in section 65)

Diffusion lengths of carriers in n- and p-type ZnMgSSe cladding layers of green laser diodes

E. Snoeks, T. Marshall, J. Petruzzello, M. D. Pashley, L.-L. Chao, and G. S. Cargill

J. Appl. Phys. 84, 3611 (1998); http://dx.doi.org/10.1063/1.368819 (6 pages) | Cited 5 times

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We have used cross sectional cathodoluminescence microscopy as a fast and nondestructive tool to characterize II–VI based green laser diodes. We find evidence for carrier mediated excitation of semiconductor layers that are not directly irradiated by the focused electron beam, from which diffusion lengths of lower mobility carriers (presumably holes) can be estimated. We find that N-doped (p-type) ZnMgSSe exhibits a very low (near) band edge luminescence efficiency. The diffusion length of minority carriers in p-type ZnMgSSe:N [(1–2)×1017 cm−3 net acceptor concentration] was found to be lower than for n-type ZnMgSSe:Cl with roughly equal dopant concentration. The diffusion length of minority carriers in n-type ZnMgSSe:Cl decreases from 0.21 μm for a doping level of (1–2)×1017 cm−3 to <0.05 μm when the n-type doping is increased to (2–4)×1018 cm−3. This decrease in diffusion length is accompanied by an increase of a broad luminescence band around 550 nm, which is attributed to Cl-related defects in the gap. The effective probe size in our cross sectional CL is close to the waist diameter of the focused electron beam. This phenomenon is discussed with regard to the sample geometry and its implication for the determination of carrier diffusion lengths. © 1998 American Institute of Physics.
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42.55.Px Semiconductor lasers; laser diodes
72.20.Jv Charge carriers: generation, recombination, lifetime, and trapping
78.60.Hk Cathodoluminescence, ionoluminescence

Contact analysis of elastic-plastic fractal surfaces

W. Yan and K. Komvopoulos

J. Appl. Phys. 84, 3617 (1998); http://dx.doi.org/10.1063/1.368536 (8 pages) | Cited 89 times

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Rough surfaces are characterized by fractal geometry using a modified two-variable Weierstrass–Mandelbrot function. The developed algorithm yields three-dimensional fractal surface topographies representative of engineering rough surfaces. This surface model is incorporated into an elastic-plastic contact mechanics analysis of two approaching rough surfaces. Closed form solutions for the elastic and plastic components of the total normal force and real contact area are derived in terms of fractal parameters, material properties, and mean surface separation distance. The effects of surface topography parameters and material properties on the total deformation force are investigated by comparing results from two- and three-dimensional contact analyses and elastic and elastic-perfectly plastic material behaviors. For normal contact of elastic-perfectly plastic silica surfaces and range of surface interference examined, the interfacial force is predominantly elastic and the real contact area is approximately one percent of the apparent contact area or less, depending on the mean interfacial distance. The analysis can be easily modified to account for anisotropic fractal surfaces and different material behaviors. © 1998 American Institute of Physics.
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68.35.B- Structure of clean surfaces (and surface reconstruction)
62.20.D- Elasticity
46.25.Cc Theoretical studies
62.20.F- Deformation and plasticity
61.43.Hv Fractals; macroscopic aggregates (including diffusion-limited aggregates)

Structure, magnetic, and magneto-optical properties of MnBi films grown on quartz and (001)GaAs substrates

K.-U. Harder, D. Menzel, T. Widmer, and J. Schoenes

J. Appl. Phys. 84, 3625 (1998); http://dx.doi.org/10.1063/1.368537 (5 pages) | Cited 13 times

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MnBi films are prepared on quartz and on (001) orientated GaAs substrates by molecular beam epitaxy in ultrahigh vacuum environment. Both kinds of substrates are used simultaneously. The influence of the substrate material is investigated with respect to the structural, the magnetic, and magneto-optical properties of the MnBi films. By evaporating a 100 nm thick SiOx buffer layer the homogeneity of the composition is improved and a grain size of about 100 nm is achieved without adding other elements. In contrast to previous investigations, our measured magneto-optical Kerr rotation spectra show no Kerr rotation peak near 3.35 eV. These results confirm theoretical predictions whereupon this peak is attributed to oxygen which occupies interstitial sites in the regular MnBi lattice. © 1998 American Institute of Physics.
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75.70.Ak Magnetic properties of monolayers and thin films
78.20.Ls Magneto-optical effects
68.55.-a Thin film structure and morphology
61.72.J- Point defects and defect clusters
78.40.Kc Metals, semimetals, and alloys
78.66.Bz Metals and metallic alloys
75.60.Ej Magnetization curves, hysteresis, Barkhausen and related effects

The growth of pinhole-free epitaxial DySi2−x films on atomically clean Si(111)

G. H. Shen, J. C. Chen, C. H. Lou, S. L. Cheng, and L. J. Chen

J. Appl. Phys. 84, 3630 (1998); http://dx.doi.org/10.1063/1.368538 (6 pages) | Cited 10 times

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The growth of pinhole-free epitaxial DySi2−x films on atomically clean Si(111) has been achieved by depositing a 2-nm-thick Dy layer onto Si(111) with a 1.5-nm-thick capping amorphous Si (a-Si) layer at room temperature followed by annealing at 700 °C in ultrahigh vacuum. The thickness of the a-Si was selected to be such that the consumption of Si atoms from the substrate is minimized by taking into account the formation of an amorphous interlayer at the Dy/Si(111) interface. Based on our experimental findings, a new mechanism for the formation of pinhole is proposed. The Stranski–Krastanov growth behavior of epitaxial DySi2−x on Si(111) by solid phase epitaxy leads to the apparently random formation of a high density of recessed regions at the initial stage of silicidation. Polycrystalline DySi2−x was found to be present at the areas inside and epitaxial DySi2−x outside the recessed regions. Large numbers of Si atoms from the substrate can therefore diffuse through the recessed regions. As a result, the depth and size of the recessed regions increase with annealing time. Finally, the DySi2−x thin layer inside the recessed regions with higher interface energy is thermally unstable and breaks apart to form pinholes. © 1998 American Institute of Physics.
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68.55.-a Thin film structure and morphology
81.15.Np Solid phase epitaxy; growth from solid phases
68.35.Ct Interface structure and roughness
68.35.Fx Diffusion; interface formation

An atomistic simulator for thin film deposition in three dimensions

Hanchen Huang, George H. Gilmer, and Tomas Díaz de la Rubia

J. Appl. Phys. 84, 3636 (1998); http://dx.doi.org/10.1063/1.368539 (14 pages) | Cited 90 times

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We describe an atomistic simulator for thin film deposition in three dimensions (ADEPT). The simulator is designed to bridge the atomic and mesoscopic length scales by using efficient algorithms, including an option to speed up surface diffusion using events with multiple diffusion hops. Sputtered particles are inserted and assigned ballistic trajectories with angular distributions appropriate for magnetron sputtering. Atoms on the surface of the film execute surface diffusion hops with rates that depend on the local configuration, and are consistent with microscopic reversibility. The potential energies are chosen to match information obtained from a database of first principles and molecular dynamics (MD) calculations. Efficient computation is accomplished by selecting atoms with probabilities that are proportional to their hop rates. A first implementation of grain boundary effects is accomplished by including an orientation variable with each occupied site. Energies and mobilities are assigned to atoms in grain boundaries using values obtained from MD. In this article we describe simulations of the deposition of aluminum. The film atoms occupy face centered cubic lattice sites of a single crystal. Three-dimensional films deposited on vias and trenches up to 0.05 μm in size have been simulated. We discuss these films in the context of step coverage issues, and scaling to macroscopic sizes. Texture development is discussed in the light of simulations showing anisotropic crystal growth. Future versions of ADEPT will include a more complete model of grain development in thin films. © 1998 American Institute of Physics.
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81.15.Cd Deposition by sputtering
68.35.Fx Diffusion; interface formation
61.72.Mm Grain and twin boundaries
68.55.-a Thin film structure and morphology
81.05.Bx Metals, semimetals, and alloys

Reciprocal space maps of PbTe/SnTe superlattices

S. O. Ferreira, E. Abramof, P. H. O. Rappl, A. Y. Ueta, H. Closs, C. Boschetti, P. Motisuke, and I. N. Bandeira

J. Appl. Phys. 84, 3650 (1998); http://dx.doi.org/10.1063/1.368540 (4 pages) | Cited 5 times

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PbTe/SnTe superlattices were grown on (111) BaF2 substrates by molecular beam epitaxy using PbTe as buffer layers. The individual layer thickness and number of repetitions were chosen in order to change the strain profile in the superlattices from completely pseudomorphic to partially relaxed. The superlattices structural properties were investigated by making reciprocal space maps around the asymmetric (224) Bragg diffraction points and ω/2Θ scans for the (222) diffraction with a high resolution diffractometer in the triple axis configuration. With the strain information obtained from the maps, the (222) ω/2Θ scan was simulated by dynamical diffraction theory. The simulated spectra of the pseudomorphic superlattices, in which the in-plane lattice constant is assumed to be the same as the PbTe buffer throughout the superlattice, fitted in a remarkably good agreement with the measured data, indicating that almost structurally perfect samples were obtained. For the thicker superlattices, the (224) reciprocal space maps revealed a complex strain profile. Our results show the importance of detailed structural characterization on the interpretation of the electrical properties. © 1998 American Institute of Physics.
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68.65.-k Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties
68.35.Ct Interface structure and roughness
68.35.Gy Mechanical properties; surface strains
81.15.Hi Molecular, atomic, ion, and chemical beam epitaxy

Environment of Er in epitaxial Ca1−xErxF2+x thin films using local techniques

A. S. Barrière, T. Césaire, L. Hirsch, B. Porté, G. Villenueve, Luis Lezama, T. Rojo, and G. E. Barberis

J. Appl. Phys. 84, 3654 (1998); http://dx.doi.org/10.1063/1.368541 (4 pages) | Cited 3 times

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We present a study of Er3+ in Ca1−xErxF2+x thin films, epitaxially grown by thermal sublimation of the solid solution on silicon and CaF2 substrates. Several techniques were used in the characterization of the films, with the aim to interpret their physical properties. Extended x-rays absorption fine structure as well as the electron spin resonance show that the films present fewer clusters than Er3+ diluted in the bulk CaF2, confirming previous optical studies. These results show that the films are more convenient than the bulk materials to use in optical devices. © 1998 American Institute of Physics.
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68.55.Ln Defects and impurities: doping, implantation, distribution, concentration, etc.
78.70.Dm X-ray absorption spectra
76.30.Kg Rare-earth ions and impurities

Surface structures and electronic states of clean and (NH4)2Sx-treated InAs(111)A and (111)B

S. Ichikawa, N. Sanada, N. Utsumi, and Y. Fukuda

J. Appl. Phys. 84, 3658 (1998); http://dx.doi.org/10.1063/1.368594 (6 pages) | Cited 12 times

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The surface structures, unoccupied and occupied electronic states, and chemical states of surface atoms for clean and (NH4)2Sx-treated InAs(111)A and (111)B surfaces have been studied using low-energy electron diffraction (LEED), inverse photoemission spectroscopy (IPES), and (x-ray and ultraviolet) photoemission spectroscopy (PES). Thermal stability of the treated surfaces upon annealing in an ultrahigh vacuum is also investigated. A diffuse (1×1) LEED pattern appears for the treated -(111)A and -(111)B surfaces annealed at 230 and 330 °C, respectively, Upon annealing the (111)B sample at 380 °C, the (1×1) structure remains and the LEED spots become clearer. For the (111)A annealed at 380 °C, the pattern changes to a clear (2×2) structure which is found for the first time for sulfurized (111) surfaces of III–V compounds. Sulfur is completely desorbed from both the (111)A and (111)B surfaces at 440 °C, exhibiting the (2×2) and (1×1) structures, respectively. IPES and PES results indicate that unoccupied and occupied dangling bonds disappear for the sulfur-adsorbed (111)A-(2×2) and (111)B-(1×1) surfaces, respectively. S 2p spectra show that sulfur is bonded to both indium and arsenic on the (111)B surface annealed at less than 340 °C and bonded only to indium at 420 °C. On the other hand, it is bonded solely to indium on the (111)A surface with and without annealing. Surface core-level shifts of In 4d and adsorption sites of sulfur are discussed. © 1998 American Institute of Physics.
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68.35.B- Structure of clean surfaces (and surface reconstruction)
73.20.At Surface states, band structure, electron density of states
73.20.Hb Impurity and defect levels; energy states of adsorbed species
79.60.Bm Clean metal, semiconductor, and insulator surfaces
81.05.Ea III-V semiconductors

Combinatorial approaches toward patterning nanocrystals

T. Vossmeyer, S. Jia, E. DeIonno, M. R. Diehl, S.-H. Kim, X. Peng, A. P. Alivisatos, and J. R. Heath

J. Appl. Phys. 84, 3664 (1998); http://dx.doi.org/10.1063/1.368542 (7 pages) | Cited 42 times

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A scheme for generating complex, spatially separated patterns of multiple types of semiconducting and/or metallic nanocrystals is presented. The process is based on lithographic patterning of organic monolayers that contain a photolabile protection group and are covalently bound to SiO2 surfaces. The process results in spatially and chemically distinct interaction sites on a single substrate. Nanocrystal assembly occurs with a high selectivity on just one type of site. We report on the production of binary, tertiary, and quatemary patterns of nanocrystals. We highlight and discuss the differences between nanocrystal/substrate assembly and molecule/substrate assembly. Finally, we investigate the assembled structures using photoluminescence and absorption spectroscopy. © 1998 American Institute of Physics.
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85.40.Hp Lithography, masks and pattern transfer
81.07.-b Nanoscale materials and structures: fabrication and characterization
81.16.-c Methods of micro- and nanofabrication and processing
85.35.-p Nanoelectronic devices
81.65.Cf Surface cleaning, etching, patterning
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