TY - JOUR
T1 - Effect of structural randomness on the frontier states of polysilane
AU - Takeda, Kyozaburo
AU - Matsumoto, Nobuo
PY - 1985/11/30
Y1 - 1985/11/30
N2 - The effect of simple structural randomness, such as stretching branching and surrounding, on the electronic structure of polysilane is investigated using molecular orbital calculation. The frontier orbital (homo and lumo) states consist mainly of skeleton Si. The fluctuation in the frontier orbital states due to such randomness are found to be quite small. Moreover, tailing of the resulting gap states into the energy gap is negligible.
AB - The effect of simple structural randomness, such as stretching branching and surrounding, on the electronic structure of polysilane is investigated using molecular orbital calculation. The frontier orbital (homo and lumo) states consist mainly of skeleton Si. The fluctuation in the frontier orbital states due to such randomness are found to be quite small. Moreover, tailing of the resulting gap states into the energy gap is negligible.
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U2 - 10.1088/0022-3719/18/33/003
DO - 10.1088/0022-3719/18/33/003
M3 - Article
AN - SCOPUS:14344272246
SN - 0022-3719
VL - 18
SP - 6121
EP - 6133
JO - Journal of Physics C: Solid State Physics
JF - Journal of Physics C: Solid State Physics
IS - 33
ER -