Structural Stability of Si(001) and Ge(001) in External Electric Fields
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概要
- 論文の詳細を見る
The effects of external electrostatic fields normal to surfaces, $E_{\text{ext}}$, on the structural stability of Si(001) and Ge(001) have been investigated using first-principles total energy calculations. It has been shown that the c($4\times 2$) surface is more stable than the p($2\times 2$) surface for both Si(001) and Ge(001) even with a finite electric field whose strength is typical of STM experiments. On the other hand, it has been revealed that the energy barrier for dimer flipping, $E_{\text{B}}$, shows different dependences between the Si(001)- and Ge(001)-($2\times 1$) surfaces: $E_{\text{B}}$ at Si(001) changes in proportion to $E_{\text{ext}}$, but hardly does at Ge(001). Such a difference is explained by the difference in the rehybridization of buckled dimers between the reconstructed surfaces of Si(001) and Ge(001), which originates from the difference in the s-p separation of valence orbitals between Si and Ge.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2005-07-15
著者
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Natori Akiko
Department Of Electronic Engineering The University Of Electro-communications
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Nakamura Jun
Department Of Environmental Sciences And Engineering University Of North Carolina
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