Energetics and geometries of steps on diamond C(001)
碩士 === 國立中山大學 === 物理學系 === 85 === Recent scanning tunneling microscopy (STM) measurements for diamond C{001) showed that for double layer steps the type-A steps with parallel dimer rows on the upper terrace is more favorable than the perpendicular type-B steps in contrast to Si(OO1). Using ab...
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| Format: | Others |
| Language: | en_US |
| Published: |
1997
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| Online Access: | http://ndltd.ncl.edu.tw/handle/30996997254282476801 |
| Summary: | 碩士 === 國立中山大學 === 物理學系 === 85 ===
Recent scanning tunneling microscopy (STM) measurements for diamond C{001) showed that for double layer steps the type-A steps with parallel dimer rows on the upper terrace is more favorable than the perpendicular type-B steps in contrast to Si(OO1). Using ab initio multicenter molecular-dynamics method, our calculations for the relaxed geometries and the corresponding energetics of these steps agree with these STM observations. These results suggest that the structural properties of diamond C(001) is intrinsically different from that of Si(001).
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