期刊
SURFACE SCIENCE
卷 536, 期 1-3, 页码 121-129出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0039-6028(03)00565-X
关键词
silicon; surface diffusion; density functional calculations; scanning tunneling microscopy
Density functional calculations show that the electric field effect on Si ad-dimer diffusion on Si(0 0 1) is largely a reflection of the position dependence of the ad-dimer's dipole moment. Surface diffusion barriers' dependence on perpendicular electric fields can be used to discriminate between diffusion mechanisms. Since the previously accepted mechanism for ad-dimer diffusion on Si(0 0 1) has the opposite field dependence to what is observed, it cannot be the one that dominates mass-transport. We identify an alternate process, with a similar barrier at zero electric field and field dependence in agreement with measurements. For rotation, calculations to date show linear field dependence, in contrast to experiments. (C) 2003 Elsevier Science B.V. All rights reserved.
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