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E Pehlke

Publications and source records attributed to E Pehlke.

17 recordsLinked to original sources
PubMed2006

Ab initio simulation of the spin transition during chemisorption: H/Al(111).

Electronically nonadiabatic effects during the chemisorption of hydrogen atoms on an Al(111) surface are simulated ab initio using time-dependent density-functional theory for the electrons in combination with Ehrenfest dynamics for the nuclei. Strongly nonadiabatic effects close to the spin transition of the H atom are identified, and the dissipated energy as well as the electron-hole pair excitation spectra are calculated. The recent Newns-Anderson-model approach by Mizielinski et al. is confirmed. The simulations illustrate the physical processes that contribute to internal exoelectron emission.

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PubMed2005

Surface-state localization at adatoms.

Low-temperature scanning tunneling spectroscopy of magnetic and nonmagnetic metal atoms on Ag(111) and on Cu(111) surfaces reveals the existence of a common electronic resonance at an energy below the binding energies of the surface states. Using an extended Newns-Anderson model, we assign this resonance to an adsorbate-induced bound state, split off from the bottom of the surface-state band, and broadened by the interaction with bulk states. A line shape analysis of the bound state indicates that Ag and Cu adatoms on Ag(111) and Cu(111), respectively, decrease the surface-state lifetime, while a cobalt adatom causes no significant change.

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PubMed2002

Quantum Monte Carlo calculations of H2 dissociation on Si(001).

The dissociative adsorption of H2 on the Si(001) surface is theoretically investigated for several reaction pathways using quantum Monte Carlo methods. Our reaction energies and barriers are at large variance with those obtained with commonly used approximate exchange-correlation density functionals. Our results for adsorption support recent experimental findings, while, for desorption, the calculations give barriers in excess of the presently accepted experimental value, pinpointing the role of coverage effects and desorption from steps.

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PubMed2001

Structure Sensitive Reaction Channels of Molecular Hydrogen on Silicon Surfaces.

The ability of the Si(001) surface to adsorb H2 molecules dissociatively increases by orders of magnitude when appropriate surface dangling bonds are terminated by H atoms. Through molecular beam techniques the energy dependent sticking probability at different adsorption sites on H-precovered and stepped surfaces is measured to obtain information about the barriers to adsorption, which decrease systematically with an increase in coadsorbed H atoms. With the help of density functional calculations for interdimer adsorption pathways, this effect is traced back to the electronic structure of the different adsorption sites and its interplay with local lattice distortions.

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PubMed1996

High-Energy Charged Particles in the Innermost Jovian Magnetosphere

The energetic particles investigation carried by the Galileo probe measured the energy and angular distributions of the high-energy particles from near the orbit of Io to probe entry into the jovian atmosphere. Jupiter's inner radiation region had extremely large fluxes of energetic electrons and protons; intensities peaked at approximately2.2RJ (where RJ is the radius of Jupiter). Absorption of the measured particles was found near the outer edge of the bright dust ring. The instrument measured intense fluxes of high-energy helium ions (approximately62 megaelectron volts per nucleon) that peaked at approximately1.5RJ inside the bright dust ring. The abundances of all particle species decreased sharply at approximately1.35RJ; this decrease defines the innermost edge of the equatorial jovian radiation.

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