443 research outputs found

    Novel diffusion mechanism on the GaAs(001) surface: the role of adatom-dimer interaction

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    Employing first principles total energy calculations we have studied the behavior of Ga and Al adatoms on the GaAs(001)-beta2 surface. The adsorption site and two relevant diffusion channels are identified. The channels are characterized by different adatom-surface dimer interaction. Both affect in a novel way the adatom migration: in one channel the diffusing adatom jumps across the surface dimers and leaves the dimer bonds intact, in the other one the surface dimer bonds are broken. The two channels are taken into account to derive effective adatom diffusion barriers. From the diffusion barriers we conclude a strong diffusion anisotropy for both Al and Ga adatoms with the direction of fastest diffusion parallel to the surface dimers. In agreement with experimental observations we find higher diffusion barriers for Al than for Ga.Comment: 4 pages, 2 figures, Phys. Rev. Lett. 79 (1997). Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

    Tests of a large air‐core superconducting solenoid as a nuclear‐reaction‐product spectrometer

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    An air‐core superconducting solenoid, with a diameter of 0.2 m and a length of 0.4 m, has been configured for use as a heavy‐ion reaction‐product spectrometer (E/A≀5 MeV/u) near Ξ=0° (10 to 35 msr). The performance of the spectrometer was established using α‐particle sources and nuclear‐reaction products from (18O, 18Ne), (18O, 20Ne) and (18O, 14O) and masses determined for 30Mg, 108Ru and 109Rh. A system suitable for production of radioactive beams has been constructed, and in‐beam tests are in progress at the University of Notre Dame. Large air‐core solenoids with dΩ≀20 msr and capable of focusing ions with E/A≄30 MeV/u appear feasible.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/87304/2/845_1.pd

    Ab initio simulations of the kinetic properties of the hydrogen monomer on graphene

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    The understanding of the kinetic properties of hydrogen (isotopes) adatoms on graphene is important in many fields. The kinetic properties of hydrogen-isotope (H, D and T) monomers were simulated using a composite method consisting of density functional theory, density functional perturbation theory and harmonic transition state theory. The kinetic changes of the magnetic property and the aromatic π\pi bond of the hydrogenated graphene during the desorption and diffusion of the hydrogen monomer was discussed. The vibrational zero-point energy corrections in the activation energies were found to be significant, ranging from 0.072 to 0.205 eV. The results obtained from quantum-mechanically modified harmonic transition state theory were compared with the ones obtained from classical-limit harmonic transition state theory over a wide temperature range. The phonon spectra of hydrogenated graphene were used to closely explain the (reversed) isotope effects in the prefactor, activation energy and jump frequency of the hydrogen monomer. The kinetic properties of the hydrogen-isotope monomers were simulated under conditions of annealing for 10 minutes and of heating at a constant rate (1.0 K/s). The isotope effect was observed; that is, a hydrogen monomer of lower mass is desorbed and diffuses more easily (with lower activation energies). The results presented herein are very similar to other reported experimental observations. This study of the kinetic properties of the hydrogen monomer and many other involved implicit mechanisms provides a better understanding of the interaction between hydrogen and graphene.Comment: Accepted by J. Phys. Chem.

    Ab initio atomistic thermodynamics and statistical mechanics of surface properties and functions

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    Previous and present "academic" research aiming at atomic scale understanding is mainly concerned with the study of individual molecular processes possibly underlying materials science applications. Appealing properties of an individual process are then frequently discussed in terms of their direct importance for the envisioned material function, or reciprocally, the function of materials is somehow believed to be understandable by essentially one prominent elementary process only. What is often overlooked in this approach is that in macroscopic systems of technological relevance typically a large number of distinct atomic scale processes take place. Which of them are decisive for observable system properties and functions is then not only determined by the detailed individual properties of each process alone, but in many, if not most cases also the interplay of all processes, i.e. how they act together, plays a crucial role. For a "predictive materials science modeling with microscopic understanding", a description that treats the statistical interplay of a large number of microscopically well-described elementary processes must therefore be applied. Modern electronic structure theory methods such as DFT have become a standard tool for the accurate description of individual molecular processes. Here, we discuss the present status of emerging methodologies which attempt to achieve a (hopefully seamless) match of DFT with concepts from statistical mechanics or thermodynamics, in order to also address the interplay of the various molecular processes. The new quality of, and the novel insights that can be gained by, such techniques is illustrated by how they allow the description of crystal surfaces in contact with realistic gas-phase environments.Comment: 24 pages including 17 figures, related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

    Highly deformed 40^{40}Ca configurations in 28^{28}Si + 12^{12}C

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    The possible occurrence of highly deformed configurations in the 40^{40}Ca di-nuclear system formed in the 28^{28}Si + 12^{12}C reaction is investigated by analyzing the spectra of emitted light charged particles. Both inclusive and exclusive measurements of the heavy fragments (A ≄\geq 10) and their associated light charged particles (protons and α\alpha particles) have been made at the IReS Strasbourg {\sc VIVITRON} Tandem facility at bombarding energies of Elab(28E_{lab} (^{28}Si) = 112 MeV and 180 MeV by using the {\sc ICARE} charged particle multidetector array. The energy spectra, velocity distributions, and both in-plane and out-of-plane angular correlations of light charged particles are compared to statistical-model calculations using a consistent set of parameters with spin-dependent level densities. The analysis suggests the onset of large nuclear deformation in 40^{40}Ca at high spin.Comment: 33 pages, 11 figure

    Comment on the narrow structure reported by Amaryan et al

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    The CLAS Collaboration provides a comment on the physics interpretation of the results presented in a paper published by M. Amaryan et al. regarding the possible observation of a narrow structure in the mass spectrum of a photoproduction experiment.Comment: to be published in Physical Review

    Near-threshold Photoproduction of Phi Mesons from Deuterium

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    We report the first measurement of the differential cross section on ϕ\phi-meson photoproduction from deuterium near the production threshold for a proton using the CLAS detector and a tagged-photon beam in Hall B at Jefferson Lab. The measurement was carried out by a triple coincidence detection of a proton, K+K^+ and K−K^- near the theoretical production threshold of 1.57 GeV. The extracted differential cross sections dσdt\frac{d\sigma}{dt} for the initial photon energy from 1.65-1.75 GeV are consistent with predictions based on a quasifree mechanism. This experiment establishes a baseline for a future experimental search for an exotic ϕ\phi-N bound state from heavier nuclear targets utilizing subthreshold/near-threshold production of ϕ\phi mesons

    Photoproduction of phi(1020) mesons on the proton at large momentum transfer

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    The cross section for ϕ\phi meson photoproduction on the proton has been measured for the first time up to a four-momentum transfer -t = 4 GeV^2, using the CLAS detector at the Thomas Jefferson National Accelerator Facility. At low four-momentum transfer, the differential cross section is well described by Pomeron exchange. At large four-momentum transfer, above -t = 1.8 GeV^2, the data support a model where the Pomeron is resolved into its simplest component, two gluons, which may couple to any quark in the proton and in the ϕ\phi.Comment: 5 pages; 7 figure

    Differential cross section and recoil polarization measurements for the gamma p to K+ Lambda reaction using CLAS at Jefferson Lab

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    We present measurements of the differential cross section and Lambda recoil polarization for the gamma p to K+ Lambda reaction made using the CLAS detector at Jefferson Lab. These measurements cover the center-of-mass energy range from 1.62 to 2.84 GeV and a wide range of center-of-mass K+ production angles. Independent analyses were performed using the K+ p pi- and K+ p (missing pi -) final-state topologies; results from these analyses were found to exhibit good agreement. These differential cross section measurements show excellent agreement with previous CLAS and LEPS results and offer increased precision and a 300 MeV increase in energy coverage. The recoil polarization data agree well with previous results and offer a large increase in precision and a 500 MeV extension in energy range. The increased center-of-mass energy range that these data represent will allow for independent study of non-resonant K+ Lambda photoproduction mechanisms at all production angles.Comment: 22 pages, 16 figure
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