STABILITY OF ADSORBED HYDROGEN ONSi(100)UNDER CHANGES OF THE SURFACE POTENTIAL

P. Kratzer, B. Hammer, F. Grey and J. K. Nørskov
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P. Kratzer: Center for Atomic-Scale Materials Physics and Physics Department, Technical University of Denmark, DK-2800 Lyngby, Denmark
B. Hammer: Center for Atomic-Scale Materials Physics and Physics Department, Technical University of Denmark, DK-2800 Lyngby, Denmark;
F. Grey: Mikroelektronik Centeret, Technical University of Denmark, DK-2800 Lyngby, Denmark
J. K. Nørskov: Center for Atomic-Scale Materials Physics and Physics Department, Technical University of Denmark, DK-2800 Lyngby, Denmark

Surface Review and Letters (SRL), 1996, vol. 03, issue 02, 1227-1233

Abstract: We study the effect of an electrostatic surface potential on the chemisorption energy ofH2on aSi(100)2×1surface on the basis of a set of ab initio calculations. We find a sizeable destabilization of the adsorbate, because the clean surface gains in stability compared to the H-terminated surface due to charge transfer between dangling bonds and the space charge region below the surface. We rationalize our results in terms of a simple model and discuss the possibility that potential-induced destabilization is an important ingredient in understanding STM-induced nanolithography.

Date: 1996
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DOI: 10.1142/S0218625X96002229

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