引用一种带有量纲的电子-声子相互作用常数,很容易建立它与黄昆因子的关系式,进而计算出类胡萝卜素分子每个碳碳振动模的电子-声子耦合常数。测量了β胡萝卜素分子在极性溶剂1,2-二氯乙烷和非极性溶剂环己烷中20~60℃的温度范围内紫外-...引用一种带有量纲的电子-声子相互作用常数,很容易建立它与黄昆因子的关系式,进而计算出类胡萝卜素分子每个碳碳振动模的电子-声子耦合常数。测量了β胡萝卜素分子在极性溶剂1,2-二氯乙烷和非极性溶剂环己烷中20~60℃的温度范围内紫外-可见吸收光谱和共振拉曼光谱。结果表明,在极性溶剂1,2-二氯乙烷中,β胡萝卜素分子的碳碳键拉曼散射截面小,黄昆因子、电子-声子耦合数比非极性溶剂中大。为了解释这种现象,我们引入线性多烯分子的两种模型,即F A C Oliveria引入的有效共轭长度模型和D Yu Paraschuk提出的相干弱阻尼电子-晶格振动模型。展开更多
The pressure-induced molecular dissociation as one of the fundamental problems in physical sciences has aroused many theoretical and experimental studies. Here, using a newly developed particle swarm optimization algo...The pressure-induced molecular dissociation as one of the fundamental problems in physical sciences has aroused many theoretical and experimental studies. Here, using a newly developed particle swarm optimization algorithm, we investigate the high-pressure-induced molecular dissociation. The results show that the carbon tetrachloride （CC14） is unstable and dissociates into C2C16 and C12 under approximately 120 GPa and more. The dissociation is confirmed by the lattice dynamic calculations and electronic structure of the Pa3 structure with pressure evolution. The dissociation pressure is far larger than that in the case of high temperature, indicating that the temperature effectively reduces the activation barrier of the dissociation reaction of CC14. This research improves the understanding of the dissociation reactions of CC14 and other halogen compounds under high pressures.展开更多
文摘引用一种带有量纲的电子-声子相互作用常数,很容易建立它与黄昆因子的关系式,进而计算出类胡萝卜素分子每个碳碳振动模的电子-声子耦合常数。测量了β胡萝卜素分子在极性溶剂1,2-二氯乙烷和非极性溶剂环己烷中20~60℃的温度范围内紫外-可见吸收光谱和共振拉曼光谱。结果表明,在极性溶剂1,2-二氯乙烷中,β胡萝卜素分子的碳碳键拉曼散射截面小,黄昆因子、电子-声子耦合数比非极性溶剂中大。为了解释这种现象,我们引入线性多烯分子的两种模型,即F A C Oliveria引入的有效共轭长度模型和D Yu Paraschuk提出的相干弱阻尼电子-晶格振动模型。
基金Project supported by the National Natural Science Foundation of China (Grant Nos.10974067 and 11104107)the Program of the Science and Technology Department of Jilin Province,China (Grant Nos.20090534 and 20101508)the China Postdoctoral Science Foundation (Grant No.20110491320)
文摘The pressure-induced molecular dissociation as one of the fundamental problems in physical sciences has aroused many theoretical and experimental studies. Here, using a newly developed particle swarm optimization algorithm, we investigate the high-pressure-induced molecular dissociation. The results show that the carbon tetrachloride （CC14） is unstable and dissociates into C2C16 and C12 under approximately 120 GPa and more. The dissociation is confirmed by the lattice dynamic calculations and electronic structure of the Pa3 structure with pressure evolution. The dissociation pressure is far larger than that in the case of high temperature, indicating that the temperature effectively reduces the activation barrier of the dissociation reaction of CC14. This research improves the understanding of the dissociation reactions of CC14 and other halogen compounds under high pressures.
