First-principles studies of hydrogenated Si(111)-7×7
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چکیده
منابع مشابه
First-principles studies of hydrogenated Si(111)-7 x 7.
The relaxed geometries and electronic properties of the hydrogenated phases of the Si~111!-737 surface are studied using first-principles molecular dynamics. A monohydride phase, with one H per dangling bond adsorbed on the bare surface, is found to be energetically favorable. Another phase where 43 hydrogens saturate the dangling bonds created by the removal of the adatoms from the clean surfa...
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K. Jarolimek,1,2 R. A. de Groot,2 G. A. de Wijs,2 and M. Zeman1 1DIMES, Delft University of Technology, Feldmannweg 17, 2600 GB Delft, The Netherlands 2Electronic Structure of Materials, Institute for Molecules and Materials, Faculty of Science, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Received 23 May 2008; revised manuscript received 9 February 2009; p...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1996
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.54.8028