Electronic and Lattice Structures of Isolated Se Chains and Defects in Them.II

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概要

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• Electronic and lattice structures of terminal and internal defects in a Se chain aresystematically studied with the semi-empirical model developed previously. Struc-tures of the defects are as follows: negative Ton 'C. , a little altered helix; neutralradical 'C's, and positive singlet Jon 'C." , planer structures with four atoms; positivetriplet ion 'C." , an acute triangle; n-type polaron 'P , locally relaxed helix; p-typepolaron 'P' and self-trapped triplet exciton 'Ex, planer zig-zag structures with fiveatoms; intimate valence alternation pair (IVAP), a ramification of a Se atom. TheIVAP is of C; - C. type. Interactions of a Se chain with Li, H and 0 are studied as amodel of the effects of the wall on a Se chain enclosed in a mordenite channel (M-Se).A Se chain makes unusual charge transfer complexes with Li. Hydrogen binds to aninternal Se making it CJ type or blocks a terminal Se. Based on these calculations wepropose a model for photo-induced events in M-Se.

• 社団法人日本物理学会の論文
• 1990-03-15

著者

• FUKUTOME Hideo

  Department of Physics, Kyoto University

• Fukutome Hideo

  Department Of Physics Faculty Of Science Kyoto University

• IKAWA Atsushi

  Department of Physics,Kyoto University

• Ikawa Atsushi

  Department Of Chemistry Graduate School Of Science Kyoto University

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