Ground states and thermally and optically excited states in quasi-one-dimensional halogen-bridged Pd/Ni mixed-metal complexes

准一维卤素桥联Pd/Ni混合金属配合物中的基态以及热激发态和光激发态

• 批准号: 13640339
• 负责人: IWANO Kaoru
• 金额: $ 2.05万
• 依托单位: The High Energy Accelerator Research Organization
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2001
• 资助国家: 日本
• 起止时间: 2001 至 2003
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-13640339/
• 关键词: halogen-bridged metal complexes; charge-density wave; CDW; Mott insulator; mixed crystal; photoinduced effects; 電荷密度波状態; 擬1次元系; 強相関電子系; 金属錯体; 低次元系; 混晶効果; SDW; 電子相関; 量子モンテカルロ法; 金属混晶; halogen-bridged metal complexes; charge-density wave; CDW; Mott insulator; mixed crystal; photoinduced effects; 電荷密度波状態; 擬1次元系; 強相関電子系; 金属錯体; 低次元系; 混晶効果; SDW; 電子相関; 量子モンテカルロ法; 金属混晶

The ground state and thermally and optically excited states in halogen-bridged Pd/Ni mixed-metal complexes have been studied theoretically for various mixing ratios. The main results are:1.The Raman data behaviors when the mixing ratio is changed continuously are well explained by the present theory.2.Using the DMRG method, the effects of electron correlation is identified as giving a abrupt change of states from CDW to a Mott insulator. This tendency is consistent with the experimentally measured metal valencies.3.The photoinduced effects are identified as bi-directional ones, namely, CDW to Mott insulator transitions in a CDW-rich phase, and Mott-insulator to CDW transitions in a Mott-insulator-rich phase. Our final estimation is that one excited pair of an electron and a hole yields a phase conversion of 20 sites on the average.

理论上已经研究了卤素桥PD/NI混合金属配合物中的基态以及热激发状态，以进行各种混合比。主要结果是：1。当前理论不断更改混合比时，拉曼数据行为。2。使用DMRG方法，将电子相关性的效果确定为从CDW到Mott绝缘体的状态突然变化。这种趋势与实验测得的金属价值一致。3。光诱导的效应被鉴定为双向效应，即在富含CDW的阶段中向Mott绝缘体转变，而Mott-Mott-unbulator to Mott-unsulator to CDW过渡到CDW的过渡中。我们的最终估计是，一对电子和一个孔平均得出20个位点的相位转换。