重庆文理学院学报：自然科学版
重慶文理學院學報：自然科學版
중경문이학원학보：자연과학판
Journal of Chongqing University of Arts and Sciences
2012年
1期
58-61
,共4页
反式聚乙炔%电子关联%高激发态%极化子
反式聚乙炔%電子關聯%高激髮態%極化子
반식취을결%전자관련%고격발태%겁화자
trans-polyacetylene%electronic correlation%highly excited level%polaron
在Su-Schrieffer-Heeger（SSH）模型基础上,计入长程电子关联的影响,研究反式聚乙炔分子链中的高激发态极化子的稳态性质.与一般的低激发态极化子比较,高激发态极化子的晶格畸变更宽更深,能隙中的两个局域几乎重合,除了在1.35 eV附近的peirls吸收峰,高激发态极化子仅有一个约0.65 eV的低能吸收峰,而普通极化子有2个低能吸收峰,一个在0.175 eV附近,一个在0.85 eV附近.这些区别为区分两类极化子提供判据.
在Su-Schrieffer-Heeger（SSH）模型基礎上,計入長程電子關聯的影響,研究反式聚乙炔分子鏈中的高激髮態極化子的穩態性質.與一般的低激髮態極化子比較,高激髮態極化子的晶格畸變更寬更深,能隙中的兩箇跼域幾乎重閤,除瞭在1.35 eV附近的peirls吸收峰,高激髮態極化子僅有一箇約0.65 eV的低能吸收峰,而普通極化子有2箇低能吸收峰,一箇在0.175 eV附近,一箇在0.85 eV附近.這些區彆為區分兩類極化子提供判據.
재Su-Schrieffer-Heeger（SSH）모형기출상,계입장정전자관련적영향,연구반식취을결분자련중적고격발태겁화자적은태성질.여일반적저격발태겁화자비교,고격발태겁화자적정격기변경관경심,능극중적량개국역궤호중합,제료재1.35 eV부근적peirls흡수봉,고격발태겁화자부유일개약0.65 eV적저능흡수봉,이보통겁화자유2개저능흡수봉,일개재0.175 eV부근,일개재0.85 eV부근.저사구별위구분량류겁화자제공판거.
Adding an extended Hubbard term to the SSH model for trans-polyacetylene,we carried a self-consistent variation calculation on excited polaron.In comparison with a common polaron,the excited showed different natures： its Lattice distortion is wider and deeper;the two gap levels are nearly superposition;beside the peirls peak at 1.35 eV,the excited polaron has only one peak of low energy at 0.65 eV,the common one has two peaks of low energy at about 0.175 eV and 0.85 eV.These facts offered a criterion to distinguish an excited polaron from a common one.
