Theorie für den Einfluß von elektronischen Korrelationen auf die elektronische und strukturelle Dynamik von Materialien

电子相关性对材料电子和结构动力学影响的理论

• 批准号: 5348694
• 负责人: Professor Dr. Harald Jeschke
• 金额: --
• 依托单位: Department of Physics
• 依托单位国家: 德国
• 项目类别: Independent Junior Research Groups
• 财政年份: 2001
• 资助国家: 德国
• 起止时间: 2000-12-31 至 2010-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5348694?language=en
• 关键词: Theorie; den; Einflu; von; elektronischen

The influence of electronic correlations on the structural dynamics ofmaterials will be analyzed in equilibrium and in laser inducednonequilibrium. For this purpose theoretical methods for thedescription of the melting of strongly correlated real materials willbe developed and applied to the melting curveof cerium. Special attention will be paid to the changes in theelectronic structure caused by the strong electrical fields duringillumination of materials with intense laser pulses. A generalizationof dynamical mean-field theory for strong electronic nonequilibriumwill be applied to the Mott insulator VO2. This study aims ata) improving the description of the absorption processes.b) describing the relaxation mechanisms of nonequilibriumelectrons.c) treating the structural changes in materials duringand after intense excitation.Improvements in the treatment of absorption and relaxation will bestudied especially in GaAs, in carbon nanotubes and in organometallicpolymers.

将在平衡状态和激光诱导非平衡状态下分析电子相关性对材料结构动力学的影响。为此，将开发描述强相关真实材料熔化的理论方法，并将其应用于铈的熔化曲线。将特别关注强激光脉冲照射材料时强电场引起的电子结构的变化。强电子非平衡动态平均场理论的推广将应用于莫特绝缘体 VO2。本研究的目的是：a) 改进吸收过程的描述。b) 描述非平衡电子的弛豫机制。c) 处理材料在强烈激发期间和之后的结构变化。特别是在砷化镓、碳纳米管和有机金属聚合物中，将研究吸收和弛豫处理的改进。