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用同时计入电场、对称破缺项te和电子-晶格相互作用的紧束缚模型研究了电场作用下高分子中的自陷束缚激子.发现电场使高分子中自陷束缚激子内电荷发生转移,出现极化.极化程度随场强增加,也与te有关.并发现te≤0.1 eV时,双激子态表现出反向极化特性,这一特性可根据极化的量子力学理论得到理解:对高分子的自陷束缚激子,其禁带中央附近存在两个靠得很近的定域电子态即上定域态和下定域态,用微扰论说明了上定域态是反向极化而下定域态为正向极化;双激子态即上 相似文献
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In the alkali-metal doped C60, the charge transfer induces the distortion of the bond structure and forms the self-trapping electronic bound states. Our theory manifests: 1, the charge transfer reduces the symmetry of C60 from Ih to D5d. 2, Both the bond distortion and the self-trapping states possess layer structures and are localized in the equatorial area. 3, The carbon atoms in charged C60 are divided into eight layers with an inversion center, then there exist four nonequivalent groups of carbon atoms. It makes the NMR line split into a fine structure with strength ratio 1:1:2:2. 4, The charged C60 has two self-trapping bound states, one is 0.06eV above HOMO with odd parity and the other is 0.05 eV below LUMO with even parity. 相似文献
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