Journal
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 72, Issue 1, Pages 13-16Publisher
PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.72.13
Keywords
Si(111) 3 x 3-Ag; Monte Carlo simulation; surface defect; order-disorder transition; scanning tunneling microscopy
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We report a remarkable series of structural changes newly predicted for a Si(111)root3 x root3-Ag surface with defects. Monte Carlo simulations based on the results of first-principles calculations show that in a particular configuration of a few defects, a wide region undergoes disorder --> order --> disorder --> order structural changes with the decrease of temperature. We call this series of changes multistage order-disorder surface (MODS) transition, which is able to be observed by scanning tunneling microscopy (STM) as a series of clear changes of the image.
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