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

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.

从理论上研究了卤素桥联Pd/Ni混合金属配合物在不同混合比下的基态、热激发态和光激发态。主要结果如下：1.理论解释了混合比连续变化时的拉曼数据行为; 2.利用DMRG方法，确定了电子关联效应导致从CDW到Mott绝缘体的态突变.这一趋势与实验测量的金属价态一致。3.光致效应是双向的，即在富CDW相中CDW到Mott绝缘体的转变，以及在富Mott绝缘体相中Mott绝缘体到CDW的转变。我们的最终估计是，一个电子和空穴的激发对产生的相位转换的平均20个网站。

项目成果

R.Shirasaki, K.Iwano: "Delocalization of Polaron of the Excited Peierls-Hubbard System in the Mott Phase"J.Phys.Soc.Jpn.. 72. 2902-2907 (2003)

R.Shirasaki、K.Iwano：“莫特相中激发 Peierls-Hubbard 系统的极化子离域”J.Phys.Soc.Jpn.. 72. 2902-2907 (2003)

岩野 薫: "Hidden Pd Mott-insulator states in quasi-one-…"Phys.Rev.B. 69. 045104 (2004)

Kaoru Iwano：“准一中的隐藏 Pd 莫特绝缘体状态”Phys.Rev.B. 69. 045104 (2004)

岩野薫: "Nonlinearity and macroscopic oscillations in photoinduced structural phase transitions"Physical Review B. 66・6. 060302-1-060302-4 (2002)

Kaoru Iwano：“光诱导结构相变中的非线性和宏观振荡”物理评论 B. 66・6。

R.Shirasaki, K.Iwano: "Delocalization of Polaron of the Excited Peierls-Hubbard System in the Molt Phase"J.Phys.Soc.Jpn.. 72. 2902-2907 (2003)

R.Shirasaki、K.Iwano：“蜕皮阶段激发 Peierls-Hubbard 系统的极化子离域”J.Phys.Soc.Jpn.. 72. 2902-2907 (2003)

K.Iwano: "Drastic suppression of electron-lattice interaction in a one-dimensional Mott-insulator system - a polaron and a self-trapped exciton"Synthetic Metals. 135-136. 661-662 (2003)

K.Iwano：“一维莫特绝缘体系统中电子-晶格相互作用的剧烈抑制 - 极化子和自陷激子”合成金属。