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Electronic structure of a Mn12 molecular magnet: Theory and experiment
https://doi.org/10.24517/00010316
https://doi.org/10.24517/00010316cfabe13b-c7ec-45a8-b1a4-4b5fd1ef5b20
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
SC-PR-ENDO-K-014419.pdf (180.5 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||||
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| 公開日 | 2017-10-03 | |||||||
| タイトル | ||||||||
| タイトル | Electronic structure of a Mn12 molecular magnet: Theory and experiment | |||||||
| 言語 | ||||||||
| 言語 | eng | |||||||
| 資源タイプ | ||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||
| 資源タイプ | journal article | |||||||
| ID登録 | ||||||||
| ID登録 | 10.24517/00010316 | |||||||
| ID登録タイプ | JaLC | |||||||
| 著者 |
Boukhvalov, D.W.
× Boukhvalov, D.W.× Al-Saqer, M.× Kurmaev, E.Z.× Moewes, A.× Galakhov, V.R.× Finkelstein, L.D.× Chiuzbaian, S.× Neumann, M.× Dobrovitski, V.V.× Katsnelson, M.I.× Lichtenstein, A.I.× Harmon, B.N.× Endo, Kazunaka× North, J.M.× Dalal, N.S. |
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| 著者別表示 |
遠藤, 一央
× 遠藤, 一央
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| 提供者所属 | ||||||||
| 内容記述タイプ | Other | |||||||
| 内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 / 金沢大学大学院自然科学研究科物質情報解析 | |||||||
| 書誌情報 |
Physical Review B - Condensed Matter and Materials Physics 巻 75, 号 1, p. 14419, 発行日 2007-01-01 |
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| ISSN | ||||||||
| 収録物識別子タイプ | ISSN | |||||||
| 収録物識別子 | 1098-0121 | |||||||
| NCID | ||||||||
| 収録物識別子タイプ | NCID | |||||||
| 収録物識別子 | AA11187113 | |||||||
| DOI | ||||||||
| 関連タイプ | isIdenticalTo | |||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | 10.1103/PhysRevB.75.014419 | |||||||
| 出版者 | ||||||||
| 出版者 | American Physical Society | |||||||
| 抄録 | ||||||||
| 内容記述タイプ | Abstract | |||||||
| 内容記述 | We used site-selective and element-specific resonant inelastic x-ray scattering (RIXS) to study the electronic structure and the electron interaction effects in the molecular magnet [Mn12 O12 (C H3 COO)16 (H2 O)4] 2C H3 COOH 4 H2 O, and compared the experimental data with the results of local spin density approximation +U electron structure calculations which include the on-site Coulomb interactions. We found a good agreement between theory and experiment for the Coulomb repulsion parameter U=4 eV. In particular, the p-d band separation of 1.8 eV has been found from the RIXS spectra, which is in accordance with the calculations. Similarly, the positions of the peaks in the XPS spectra agree with the calculated densities of p and d states. Using the results of the electronic structure calculations, we determined the intramolecular exchange parameters, and used them for diagonalization of the Mn12 spin Hamiltonian. The calculated exchanges gave the correct ground state with the total spin S=10. © 2007 The American Physical Society. | |||||||
| 著者版フラグ | ||||||||
| 出版タイプ | VoR | |||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||
| 関連URI | ||||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | http://dx.doi.org/10.1103/PhysRevB.75.014419 | |||||||
