Open AccessEffect of external electric field on the optical excitation of silicon dioxide
Author(s) -
Guoliang Xu,
Lyu Wen-Jing,
Yufang Liu,
Zhu Zun-Lüe,
Xianzhou Zhang,
Jinfeng Sun
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.3058
Subject(s) - electric field , excited state , excitation , atomic physics , physics , field (mathematics) , electron , materials science , quantum mechanics , mathematics , pure mathematics
The transition wavelengths, oscillator strength, Einstein An0 and B0n coefficients of excitation of silicon dioxide molecule from ground state to the first five different excited states are calculated by employing density function theory B3P86 and single substitute configuration interaction approach with basis set 6-311G**. The excited states of silicon dioxide molecule under different external electric fields are investigated. It is shown that the HOMO-LUMO gaps become smaller and the electrons of the occupied orbital are more apt be exited to the virtual orbital as the external electric field intensity becomes stronger. Thus the application of the external electric field facilitates the exitation of the SiO2 molecules.