density functional theory;
silicon surface;
scanning tunneling microscopy;
phase transition;
D O I:
10.1016/j.cap.2005.11.012
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
Density functional calculations on the relative stability of c(4 x 2) and p(2 x 2) reconstructed Si(001) surfaces exposed to external electric fields and charge injection are presented. Electric fields parallel to the [0 0 1] direction or electrons inserted into surface states are found to favor the p(2 x 2) over the c(4 x 2) reconstruction. This explains recent experimental findings for Si and Ge(001). (c) 2005 Elsevier B.V. All rights reserved.
机构:
Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USAPenn State Univ, Dept Chem Engn, University Pk, PA 16802 USA
Lin, Yangzheng
Fichthorn, Kristen A.
论文数: 0引用数: 0
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机构:
Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA
Penn State Univ, Dept Phys, University Pk, PA 16802 USAPenn State Univ, Dept Chem Engn, University Pk, PA 16802 USA