Phase Transition in a One-dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: 1. Threshold Behavior in Ionic-to-Neutral Transition

• Yonemitsu Kenji

  Institute for Molecular Science Graduate University for Advanced Studies

書誌事項

タイトル別名

• Phase Transition in a One-dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: I. Threshold Behavior in Ionic-to-Neutral Transition

抄録

Photoinduced dynamics of charge density and lattice displacements is calculated by solving the time-dependent Schrödinger equation for a one-dimensional extended Peierls–Hubbard model with alternating potentials for the mixed-stack organic charge–transfer complex, TTF–CA. A pulse of oscillating electric field is incorporated into the Peierls phase of the transfer integral. The frequency, the amplitude, and the duration of the pulse are varied to study the nonlinear and cooperative character of the photoinduced transition. When the dimerized ionic phase is photoexcited, the threshold behavior is clearly observed by plotting the final ionicity as a function of the increment of the total energy. Above the threshold photoexcitation, the electronic state reaches the neutral one with equidistant molecules after the electric field is turned off. The transition is initiated by nucleation of a metastable neutral domain, for which an electric field with frequency below the linear absorption peak is more effective than that at the peak. When the pulse is strong and short, the charge transfer takes place on the same time scale with the disappearance of dimerization. As the pulse becomes weak and long, the dimerization-induced polarization is disordered to restore the inversion symmetry on average before the charge transfer takes place to bring the system neutral. Thus, a paraelectric ionic phase is transiently realized by a weak electric field. It is shown that infrared light also induces the ionic-to-neutral transition, which is characterized by the threshold behavior.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 73 (10), 2868-2878, 2004

  一般社団法人 日本物理学会

キーワード

• photoinduced phase transition
• neutral–ionic transition
• TTF–CA
• charge–transfer complex
• time-dependent Schrödinger equation
• dynamics

詳細情報

• CRID: 1390001204188401536
• NII論文ID: 110001979219
• NII論文ID: 210000105101
• NII論文ID: 130004538601
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.73.2868
• BIBCODE: 2004JPSJ...73.2868Y
• COI: 1:CAS:528:DC%2BD2cXhtFShtbzI
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 7121300
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7121300
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.73.2868
• 本文言語コード: en
• データソース種別:
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