Orbital correlation effects in transition metal microclusters
文献类型：期刊论文
| 作者 | Zhou, L; Wang, JT; Wang, DS; Kawazoe, Y |
| 刊名 | Materials transactions jim
 |
| 出版日期 | 1999-11-01 |
| 卷号 | 40期号:11页码:1237-1243 |
| 关键词 | Orbital correlation Transition metal Microcluster Magnetocrystalline anisotropy Tight-binding Lda plus u |
| ISSN号 | 0916-1821 |
| 通讯作者 | Zhou, l() |
| 英文摘要 | Within the framework of a self-consistent tight-binding lda + u approach established in the present work, it is argued that orbital correlation (oc) has crucial effects to very small transition metal microclusters (with number of atoms n typically less than 10) by leading to orbital polarized ground states. numerical calculations on fe, co and ni diatomic pairs have revealed that inclusion of oc changes magnetic properties fundamentally: the inter-atomic exchange couplings are at least one order smaller than the bulk values and change with respect to electron filling from antiferromagnetic (for fe) to ferromagnetic (for ni), and the magnetic easy axis is usually completely different after the oc effect is considered. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; MAGNETIC-PROPERTIES ; MAGNETOCRYSTALLINE ANISOTROPY ; GADOLINIUM CLUSTERS ; NICKEL CLUSTERS ; FREE COBALT ; FREE-IRON ; NANOSTRUCTURES ; INSULATORS ; ENERGY |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS类目 | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000084167400011 |
| 出版者 | JAPAN INST METALS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2373847 |
| 专题 | 物理研究所 |
| 通讯作者 | Zhou, L |
| 作者单位 | 1.Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan 2.Acad Sinica, Inst Phys, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, L,Wang, JT,Wang, DS,et al. Orbital correlation effects in transition metal microclusters[J]. Materials transactions jim,1999,40(11):1237-1243. |
| APA | Zhou, L,Wang, JT,Wang, DS,&Kawazoe, Y.(1999).Orbital correlation effects in transition metal microclusters.Materials transactions jim,40(11),1237-1243. |
| MLA | Zhou, L,et al."Orbital correlation effects in transition metal microclusters".Materials transactions jim 40.11(1999):1237-1243. |
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来源：物理研究所
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