Searcharxiv⌕ Search

arXiv subjects

P. F. Weck

Publications and source records attributed to P. F. Weck.

11 recordsLinked to original sources
arXiv2018

Mechanisms for carbon adsorption on Au(110)-(2*1): A work function analysis

The variation of the work function upon carbon adsorption on the reconstructed Au(110) surface is measured experimentally and compared to density functional calculations. The adsorption dynamics is simulated with ab-initio molecular dynamics techniques. The contribution of various energetically available adsorption sites on the deposition process is analyzed, and the work function behavior with carbon coverage is explained by the resultant electron charge density distributions.

physics.atom-ph↗
arXiv2016

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: first-principles calculations and experiments

The decoherence of trapped-ion quantum gates due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from the trap-electrode surfaces. In this work, we investigate the source of this noise by focusing on the diffusion of carbon-containing adsorbates on the surface of Au(110). We show by density functional theory, based on detailed scanning probe microscopy, how the carbon adatom diffusion on the gold surface changes the energy landscape, and how the adatom dipole moment varies with the diffusive motion. A simple model for the diffusion noise, which varies quadratically with the variation of the dipole moment, qualitatively reproduces the measured noise spectrum, and the estimate of the noise spectral density is in accord with measured values.

physics.atom-ph↗
arXiv2015

Electric field cancellation on quartz: a Rb adsorbate induced negative electron affinity surface

We investigate the (0001) surface of single crystal quartz with a submonolayer of Rb adsorbates. Using Rydberg atom electromagnetically induced transparency, we investigate the electric fields resulting from Rb adsorbed on the quartz surface, and measure the activation energy of the Rb adsorbates. We show that the adsorbed Rb induces a negative electron affinity (NEA) on the quartz surface. The NEA surface allows low energy electrons to bind to the surface and cancel the electric field from the Rb adsorbates. Our results are important for integrating Rydberg atoms into hybrid quantum systems and the fundamental study of atom-surface interactions, as well as applications for electrons bound to a 2D surface.

physics.atom-ph↗
arXiv2012

Influence of monolayer contamination on electric-field-noise heating in ion traps

Electric field noise is a hinderance to the assembly of large scale quantum computers based on entangled trapped ions. Apart from ubiquitous technical noise sources, experimental studies of trapped ion heating have revealed additional limiting contributions to this noise, originating from atomic processes on the electrode surfaces. In a recent work [A. Safavi-Naini et al., Phys. Rev. A 84, 023412 (2011)] we described a microscopic model for this excess electric field noise, which points a way towards a more systematic understanding of surface adsorbates as progenitors of electric field jitter noise. Here, we address the impact of surface monolayer contamination on adsorbate induced noise processes. By using exact numerical calculations for H and N atomic monolayers on an Au(111) surface representing opposite extremes of physisorption and chemisorption, we show that an additional monolayer can significantly affect the noise power spectrum and either enhance or suppress the resulting heating rates.

quant-ph↗
arXiv2005

Heavy atom tunneling in chemical reactions: study of H + LiF collisions

The H+LiF(X 1Sigma+,v=0-2,j=0)-->HF(X 1Sigma+,v',j')+Li(2S) bimolecular process is investigated by means of quantum scattering calculations on the chemically accurate X 2A' LiHF potential energy surface of Aguado et al. [J. Chem. Phys. 119, 10088 (2003)]. Calculations have been performed for zero total angular momentum for translational energies from 10-7 to 10-1 eV. Initial-state selected reaction probabilities and cross sections are characterized by resonances originating from the decay of metastable states of the H...F-Li and Li...F-H van der Waals complexes. Extensive assignment of the resonances has been carried out by performing quasibound states calculations in the entrance and exit channel wells. Chemical reactivity is found to be significantly enhanced by vibrational excitation at low temperatures, although reactivity appears much less favorable than non-reactive processes due to the inefficient tunneling of the relatively heavy fluorine atom strongly bound in van der Waals complexes.

physics.chem-ph↗
arXiv2004

Quantum dynamics of the Li+HF-->H+LiF reaction at ultralow temperatures

Quantum mechanical calculations are reported for the Li+HF(v=0,1,j=0)-->H+LiF(v',j') bimolecular scattering process at low and ultralow temperatures. Calculations have been performed for zero total angular momentum using a recent high accuracy potential energy surface for the X 2A' electronic ground state. For Li+HF(v=0,j=0), the reaction is dominated by resonances due to the decay of metastable states of the Li...F-H van der Waals complex. Assignment of these resonances has been carried out by calculating the eigenenergies of the quasibound states. We also find that while chemical reactivity is greatly enhanced by vibrational excitation the resonances get mostly washed out in the reaction of vibrationally excited HF with Li atoms. In addition, we find that at low energies, the reaction is significantly suppressed due to the formation of rather deeply bound van der Waals complexes and the less efficient tunneling of the relatively heavy fluorine atom.

physics.chem-ph↗
arXiv2004

Chemical reactivity of ultracold polar molecules: investigation of H + HCl and H + DCl collisions

Quantum scattering calculations are reported for the H+HCl(v,j=0) and H+DCl(v,j=0) collisions for vibrational levels v=0-2 of the diatoms. Calculations were performed for incident kinetic energies in the range 10-7 to 10-1 eV, for total angular momentum J=0 and s-wave scattering in the entrance channel of the collisions. Cross sections and rate coefficients are characterized by resonance structures due to quasibound states associated with the formation of the H...HCl and H...DCl van der Waals complexes in the incident channel. For the H+HCl(v,j=0) collision for v=1,2, reactive scattering leading to H_2 formation is found to dominate over non-reactive vibrational quenching in the ultracold regime. Vibrational excitation of HCl from v=0 to v=2 increases the zero-temperature limiting rate coefficient by about 8 orders of magnitude.

physics.chem-ph↗
arXiv2004

Molecular line opacity of LiCl in the mid-infrared spectra of brown dwarfs

We present a complete line list for the X 1Sigma+ electronic ground state of LiCl computed using fully quantum-mechanical techniques. This list includes transition energies and oscillator strengths in the spectral region 0.3-39,640.7 cm-1 for all allowed rovibrational transitions in absorption within the electronic ground state. The calculations were performed using an accurate hybrid potential constructed from a spectral inversion fit of experimental data and from recent multi-reference single- and double-excitation configuration interaction calculations. The line list was incorporated into the stellar atmosphere code PHOENIX to compute spectra for a range of young to old T dwarf models. The possibility of observing a signature of LiCl in absorption near 15.8 microns is addressed and the proposal to use this feature to estimate the total lithium elemental abundance for these cool objects is discussed.

astro-ph↗
arXiv2002

The Molecular Continuum Opacity of MgH in Cool Stellar Atmospheres

The opacity due to photodissociation of 24MgH is investigated in the atmospheres of cool stars. The lowest two electronic transitions A 2Pi -- X 2Sigma+ and B' 2Sigma+ -- X 2 Sigma+ are considered where the cross sections for the latter were published previously (Weck, Stancil, & Kirby 2002) while the former are presented in this work. Model atmospheres calculated with the PHOENIX code are used to investigate the effect of the photodissociation opacity on spectra of cool stars. The A -- X photodissociation cross sections are obtained using a combination of ab initio and experimentally derived potential curves and dipole transition moments. Partial cross sections have been evaluated over the accessible wavelength range 1770-4560 Angstrom for all rotational transitions from the vibrational levels v''=0-11. Assuming a Boltzmann distribution of the rovibrational levels of the X 2Sigma+ state, LTE photodissociation cross sections are presented for temperatures between 1000 and 5000 K. Shape resonances, arising from rotational predissociation of quasi-bound levels of the A 2Pi state near threshold, characterize the LTE photodissociation cross sections. A sum rule is proposed as a check on the accuracy of the photodissociation calculations.

astro-ph↗
arXiv2002

The Molecular Line Opacity of MgH in Cool Stellar Atmospheres

A new, complete, theoretical rotational and vibrational line list for the A-X electronic transition in MgH is presented. The list includes transition energies and oscillator strengths for all possible allowed transitions and was computed using the best available theoretical potential energies and dipole transition moment function with the former adjusted to account for experimental data. The A-X line list, as well as new line lists for the B'-X and the X-X (pure rovibrational) transitions, were included in comprehensive stellar atmosphere models for M, L, and T dwarfs and solar-type stars. The resulting spectra, when compared to models lacking MgH, show that MgH provides significant opacity in the visible between 4400 and 5600 Angstrom. Further, comparison of the spectra obtained with the current line list to spectra obtained using the line list constructed by Kurucz (1993) show that the Kurucz list significantly overestimates the opacity due to MgH particularly for the bands near 5150 and 4800 Angstrom with the discrepancy increasing with decreasing effective temperature.

astro-ph↗