Charge-Transfer Excitations in One-Dimensional Dimerized Mott Insulators(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
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概要
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We investigate the optical properties of one-dimensional (1D) dimerized Mott insulators using the 1D dimerized extended Hubbard model. Numerical calculations and a perturbative analysis from the decoupled-dimer limit clarify that there are three relevant classes of charge-transfer (CT) states generated by photoexcitation: interdimer CT unbound states, interdimer CT exciton states, and intradimer CT exciton states. This classification is applied to understanding the optical properties of an organic molecular material, 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA), which is known for its photoinduced transition from the dimerized spin-singlet phase to the regular paramagnetic phase. We conclude that the lowest photoexcited state of TTTA is the interdimer CT exciton state and the second lowest state is the intradimer CT exciton state.
- 2007-07-15
著者
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YONEMITSU Kenji
Institute for Molecular Science
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MAESHIMA Nobuya
Department of Chemistry, Tohoku University
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Maeshima Nobuya
Department Of Chemistry Tohoku University
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Maeshima Nobuya
Department Of Chemistry Tohoku University:institute For Molecular Science
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Yonemitsu Kenji
Institute For Molecular Science:department Of Functional Molecular Science Graduate University For A
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