Ground state and polaron and bipolaron excited states in polydiacetylene

来源 :Science in China(Series G:Physics,Mechanics & Astronomy) | 被引量 : 0次 | 上传用户:gaochao321
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The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons. The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. such as polarons and bipolarons. The invention of polaron and bipolaron, the creation of energy and binding energy, which are both defined differently. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.
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