The (1 x 1)-> quasihexagonal (HEX) phase transition on a clean Pt(100) surface was investigated by monitoring the time evolution of the Pt4f(7/2) core level photoemission spectra. The spectral component originating from the atoms forming the (1 x .1) metastable unreconstructed surface was found at -570 +/- 20 meV with respect to the bulk peak. Ab initio calculations based on density functional theory confirmed the experimental assignment. At temperatures above 370 K, the (1 x 1) phase irreversibly reverts to the more stable HEX phase, characterized by a surface core level shifted component at -185 +/- 40 meV. By analyzing the intensity evolution of the core level components, measured at different temperatures in the range of 393-475 K, we determined the activation energy of the phase transformation, E=0.76 +/- 0.04 eV. This value is considerably lower than the one previously determined by means of low energy electron diffraction. Possible reasons for this discrepancy are discussed
The (1x1)-> hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission / Baraldi, A.; Vesselli, E.; Bianchettin, L.; Comelli, G.; Lizzit, S.; Petaccia, L.; de Gironcoli, Stefano Maria; Locatelli, A.; Mentes, T. O.; Aballe, L.; Weissenrieder, J.; Andersen, J. N.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 127:16(2007), pp. 1-7. [10.1063/1.2794344]
The (1x1)-> hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission
de Gironcoli, Stefano Maria;
2007-01-01
Abstract
The (1 x 1)-> quasihexagonal (HEX) phase transition on a clean Pt(100) surface was investigated by monitoring the time evolution of the Pt4f(7/2) core level photoemission spectra. The spectral component originating from the atoms forming the (1 x .1) metastable unreconstructed surface was found at -570 +/- 20 meV with respect to the bulk peak. Ab initio calculations based on density functional theory confirmed the experimental assignment. At temperatures above 370 K, the (1 x 1) phase irreversibly reverts to the more stable HEX phase, characterized by a surface core level shifted component at -185 +/- 40 meV. By analyzing the intensity evolution of the core level components, measured at different temperatures in the range of 393-475 K, we determined the activation energy of the phase transformation, E=0.76 +/- 0.04 eV. This value is considerably lower than the one previously determined by means of low energy electron diffraction. Possible reasons for this discrepancy are discussedFile | Dimensione | Formato | |
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