Pairing of hydrogen atoms on the Si(100)-(2×1) surface: The role of interactions among dimers
- 15 April 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 49 (16) , 11191-11195
- https://doi.org/10.1103/physrevb.49.11191
Abstract
Local-density-functional calculations of the pairing of H atoms on the (100)-2×1 surface of Si are presented. We find that significant interactions between neighboring dimers along a row are present, favoring configurations where H-unpaired dimers are in the same row and have the H-atoms all on the same side. We discuss how these effects can contribute to the effective H-pairing energies determined experimentally.Keywords
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