Silane photoabsorption spectra near the Si 2p thresholds: the geometry of Si 2p excited SiH4
Zhang Wei-Hua (张卫华)a, Xu Ru-Qing (许如清)a, Li Jia-Ming (李家明)ab
a Department of Physics, Center of Atom and Molecular Nanosciences, Tsinghua University, Beijing 100084, China; bInstitute of Physics, Chinese Academy of Sciences, Beijing 100080, China
Abstract Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH$_{4}^{**}$ is recommended to be of a $C_{2v}$ symmetry. More specifically, the Si 2p-excited SiH$_{4}^{**}$ have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively.
Received: 12 July 2002
Revised: 04 December 2002
Accepted manuscript online:
Fund: Project supported by the Ministry of Science and Technology of China, by the National Natural Science Foundation of China, Ministry of Education of China, National High-Technology Inertial Confinement Fusion Committee of China and Chinese Research Associa
Cite this article:
Zhang Wei-Hua (张卫华), Xu Ru-Qing (许如清), Li Jia-Ming (李家明) Silane photoabsorption spectra near the Si 2p thresholds: the geometry of Si 2p excited SiH4 2003 Chinese Physics 12 275
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