Tight-binding approach to field desorption: N2 ON Fe(111) |
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| Authors: | D Tománek HJ Kreuzer JH Block |
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| Institution: | Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-1000 Berlin 33, Germany;Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-1000 Berlin 33, Germany |
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| Abstract: | We present a tight-binding cluster calculation including interatomic Coulomb repulsion for field-induced adsorption and desorption. For electric field strengths F up to the desorption threshold for N2 on Fe(111) we calculate total potential energy surfaces. The variation of the Schottky barrier and of the N2 vibrational frequency is extracted as a function of F. |
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