Microstructure and temperature-dependent magnetic properties of Co/Pt multilayered nanowires
文献类型:期刊论文
作者 | Liu, LF ; Zhou, WY ; Xie, SS ; Albrecht, O ; Nielsch, K |
刊名 | CHEMICAL PHYSICS LETTERS
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出版日期 | 2008 |
卷号 | 466期号:4-6页码:165 |
关键词 | GIANT MAGNETORESISTANCE MAGNETOSTATIC INTERACTIONS NI NANOWIRES ARRAYS NANOSTRUCTURES NANOPARTICLES FABRICATION MEMBRANES |
ISSN号 | 0009-2614 |
通讯作者 | Liu, LF: Max Planck Inst Microstruct Phys, Weinberg 2, D-06120 Halle, Germany. |
中文摘要 | A clear and reliable theoretical investigation on dibromomethane (CHBr,) photodissociation is desired. The calculation must consider: (i) relativistic effects; (ii) the potential energy curves (PECs) of spin-orbit coupling states; (iii) geometry optimization by the method with both static and dynamic electron correlations; (iv) solvent effects oil the photodissociation in the solution. All these have been considered in this study by state-of-the-art quantum chemical calculations. The experimentally observed photodissociation in the gas phase with products of spin-orbit-coupled states, Br(P-2(3/2)) and Br*(P-2(1/2)), was assigned by multi-state second order multiconfigurational perturbation theory in conjunction with spin-orbit interaction through complete active space state interaction (MS-CASPT2/CASSI-SO) PECs. The mechanisms of the experimentally observed photodissociation and photoisomerization in solvent were elucidated by the MS-CASPT2/CASSI-SO method combined with polarized continuum model of the solvent. (C) 2008 Wiley Periodicals, Inc. J Comput Chem 29: 2513-2519, 2008 |
收录类别 | SCI |
资助信息 | National Natural Science Foundation of China [10334060]; '973' National Key Basic Research Program of China [2005CB623602] |
语种 | 英语 |
公开日期 | 2013-09-18 |
源URL | [http://ir.iphy.ac.cn/handle/311004/42095] ![]() |
专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
推荐引用方式 GB/T 7714 | Liu, LF,Zhou, WY,Xie, SS,et al. Microstructure and temperature-dependent magnetic properties of Co/Pt multilayered nanowires[J]. CHEMICAL PHYSICS LETTERS,2008,466(4-6):165. |
APA | Liu, LF,Zhou, WY,Xie, SS,Albrecht, O,&Nielsch, K.(2008).Microstructure and temperature-dependent magnetic properties of Co/Pt multilayered nanowires.CHEMICAL PHYSICS LETTERS,466(4-6),165. |
MLA | Liu, LF,et al."Microstructure and temperature-dependent magnetic properties of Co/Pt multilayered nanowires".CHEMICAL PHYSICS LETTERS 466.4-6(2008):165. |
入库方式: OAI收割
来源:物理研究所
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