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Showing papers by "Maria C. Asensio published in 2002"

Journal Article•DOI•
First principles simulations of energy and polarization dependent angle-resolved photoemission spectra of Bi2212

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Arun Bansil1, M. Lindroos2, M. Lindroos1, S. Sahrakorpi1, S. Sahrakorpi2, Robert S. Markiewicz1, Genda Gu3, José Avila4, José Avila5, L. Roca5, L. Roca4, Antonio Tejeda4, Antonio Tejeda5, Maria C. Asensio5, Maria C. Asensio4 •
Northeastern University1, Tampere University of Technology2, Brookhaven National Laboratory3, Spanish National Research Council4, University of Paris-Sud5
01 Dec 2002-Journal of Physics and Chemistry of Solids
TL;DR: In this paper, first-principles simulations of angle-resolved photoemission (ARPES) intensity in Bi-2212 where the photoexcitation process is modeled realistically by taking into account the full crystal wavefunctions of the initial and final states in the presence of the surface.

13 citations

Journal Article•DOI•
Quantitative determination of the adsorption site of the OH radicals in the H2O/Si(100) system

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S. Bengió1, Hugo Ascolani1, Nicolas Franco2, Nicolas Franco3, José Avila2, José Avila3, Maria C. Asensio3, Maria C. Asensio2, E. Dudzik4, I.T. McGovern4, Tatjana Giessel5, Robert Lindsay6, Alexander M. Bradshaw5, David Phillip Woodruff5 •
National Scientific and Technical Research Council1, University of Paris-Sud2, Spanish National Research Council3, Trinity College, Dublin4, Max Planck Society5, Fritz Haber Institute of the Max Planck Society6
15 Nov 2002-Physical Review B
TL;DR: In this paper, the local structure around the adsorbed OH species resulting from the interaction of H2O with a Si(100)(231) has been determined, by a combination of direct data inversion using a "projection" method and multiple-scattering simulations.
Abstract: Using scanned-energy mode photoelectron diffraction from the O 1s level, the local structure around the adsorbed OH species resulting from the interaction of H2O with a Si(100)(231) has been determined, by a combination of direct data inversion using a ‘‘projection’’ method and multiple-scattering simulations. The O atom is bonded to a surface Si atom with a Si-O bond length of 1.6760.03 A, the Si-O bond being tilted away from the surface normal by 1964°. This bonding Si atom is at one end of a surface dimer, which lies parallel to the surface to within 69°, but there appears to be a lateral offset of the dimer along the dimer direction away from the fully symmetric position by approximately 0.3 A, possibly reflecting a residual asymmetry associated with the adsorbate bonding. The main structural parameters are in excellent agreement with the results of a previously published density-functional theory slab calculation.

7 citations