期刊
MATERIALS TRANSACTIONS
卷 42, 期 11, 页码 2247-2252出版社
JAPAN INST METALS & MATERIALS
DOI: 10.2320/matertrans.42.2247
关键词
scanning tunneling microscopy; first-principles method; Si(001)-p(2 x 2) surface
We have investigated in detail the dependence of scanning tunneling microscopy (STM) images of the Si(001)-p(2 x 2) surface on bias and tip-sample distance, based on first-principles molecular-dynamics simulations. STM images on the terrace of the Si(001)-p(2 x 2) surface are found to be similar to those at the S-A-step edges of the Si(001) surface. The present theoretical calculations predict that the STM images strongly depend on the sample bias and tip-sample separations, and that the pi and pi* surface states contribute to the changes of the STM corrugation images.
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