期刊論文
| 學年 | 102 |
|---|---|
| 學期 | 2 |
| 出版（發表）日期 | 2014-07-25 |
| 作品名稱 | Layered B-site cation ordering: A key factor in ferrimagnetism of Y2MnCrO6 |
| 作品名稱（其他語言） | |
| 著者 | Lin Hao; Lei Yang; Lee, Ming-Hsien; Lin, Tseh-Hsing; Zhang, ZhongFeng; Xie, XiangNan; Hong Zhu |
| 單位 | 淡江大學物理學系 |
| 出版者 | Amsterdam: Elsevier BV |
| 著錄名稱、卷期、頁數 | Journal of Alloys and Compounds 601, pp.14-18 |
| 摘要 | We report the Rietveld refinement of powder X-ray diffraction (XRD) pattern and first-principles calculations for the half-Cr3+ doped YMnO3 compound. The Rietveld refinement results suggest that the compound has a monoclinic structure with the Mn3+/Cr3+ layers alternately stacking along the [0 0 1] direction. The first-principles calculations show that the structure with layered B-site cation ordering has the lowest total energy; meanwhile, the insulating ferrimagnetic state is more favored compared to the ferromagnetic state, which is in agreement with the reported experimental results. Based upon Goodenough’s model of semi-covalent exchange, we argue that the anisotropic magnetic couplings between the Mn3+/Cr3+ cations ordered in layered pattern play an important role for the ferrimagnetism in the compound. |
| 關鍵字 | Cr-doped manganite;X-ray diffraction;First-principles calculations;Ferrimagnetics;Semi-covalent exchange interaction |
| 語言 | en |
| ISSN | 1873-4669 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | Hong Zhu |
| 審稿制度 | 是 |
| 國別 | CHE |
| 公開徵稿 | |
| 出版型式 | ,電子版,紙本 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/100077 ) |