Charge transfers in complex transition metal alloys (Ti_2Fe)

G. Abramovici

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Charge transfers in complex transition metal alloys (Ti_2Fe)

机译：复杂过渡金属合金（Ti_2Fe）中的电荷转移

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We introduce a new Non-Orthogonal Tight-Binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti_2Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states.

机译：我们为复杂合金引入了一种新的非正交紧密结合模型，该模型的电子结构以电荷转移为特征。我们给出电荷转移的解析计算，其中严格考虑了重叠的两个中心项。然后，我们将此结果数值应用到Ti_2Fe合金准晶体的近似相中。该模型特别适合于过渡金属，并给出了实际的态密度。

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《Zeitschrift fur Physik, B. Condensed Matter》 |1998年第1期|共6页
作者
G. Abramovici;
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正文语种 eng
中图分类物理学;
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61.44.-n semi-periodic solids; 61.66.Dk alloys; 71.10.-w theories and models of many electron systems;

机译：61.44.-n半周期固体;61.66.Dk合金;71.10.-w许多电子系统的理论和模型;

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专利

1. Charge transfers in complex transition metal alloys (Ti_2Fe) [J] . G. Abramovici Zeitschrift fur Physik, B. Condensed Matter . 1998,第1期

机译：复杂过渡金属合金（Ti_2Fe）中的电荷转移
2. Reactivity of Transition-Metal Complexes in Excited States: C-O Bond Coupling Reductive Elimination of a Ni(II) Complex Is Elicited by the Metal-to-Ligand Charge Transfer State [J] . Ma Pengchen, Wang Shaohong, Chen Hui ACS catalysis . 2020,第1期

机译：激发状态下的过渡金属配合物的反应性：通过金属 - 配体电荷转移状态引出了Ni（II）复合物的C-O键偶联的未经氢化消除
3. Modeling of charge-transfer transitions and excited states in d~6 transition metal complexes by DFT techniques [J] . Antonin Vlcek Jr., Stanislav Zalis Coordination chemistry reviews . 2007,第3a4期

机译：DFT技术模拟d〜6过渡金属配合物中的电荷转移跃迁和激发态
4. Probing metal-to-ligand charge transfer transitions in ruthenium complexes by quantitative two-photon absorption spectroscopy [C] . Charles W. Stark, Matt Rammo, Juri Pahapill, Conference on organic photonic materials and devices . 2018

机译：用定量双光子吸收光谱法探测钌配合物中金属到配体的电荷转移跃迁
5. New Donor-Acceptor Charge-Transfer Complexes of Transition Metals Incorporating Redox-Active Ligands. [D] . Seraya, Elaine Victoria. 2016

机译：包含氧化还原活性配体的过渡金属的新的供体-受体电荷转移络合物。
6. Photochemistry and electron-transfer mechanism of transition metal oxalato complexes excited in the charge transfer band [O] . Jie Chen, Hua Zhang, Ivan V. Tomov, 2008

机译：在电荷转移带中激发的过渡金属草酸酯络合物的光化学和电子转移机理
7. Reactivity of Transition-Metal Complexes in Excited States: CO Bond Coupling Reductive Elimination of a Ni(II) Complex Is Elicited by the Metal-to-Ligand Charge Transfer State [O] . -1

机译：过渡金属配合物在激发状态下的反应性：通过金属 - 配体电荷转移状态引发了Ni（II）复合物的Co键偶联消除Ni（II）复合物

Charge transfers in complex transition metal alloys (Ti_2Fe)

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