Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution
文献类型：期刊论文
| 作者 | Zhu, M.2,5 ; Liang, X.2,5; Yang, B. B.2; Zhu, S. J.2,5; Xie, C.3,6; Hu, L.2; Wei, R. H.2; Lu, W. J.2; Zhu, X. B.2; Sun, Y. P.1,2,4
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| 刊名 | APPLIED PHYSICS LETTERS
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| 出版日期 | 2021-04-05 |
| 卷号 | 118 |
| ISSN号 | 0003-6951 |
| DOI | 10.1063/5.0047701 |
| 通讯作者 | Hu, L.(huling@issp.ac.cn) ; Zhu, X. B.(xbzhu@issp.ac.cn) |
| 英文摘要 | The high-quality (111)-oriented pyrochlore oxide thin films Y-2(Hf1-xIrx)(2)O-7 (YHIO) were prepared by pulsed laser deposition. The bandgap values of Ir-substituted YHIO thin films for x=0-0.5 range from 4.6 to 1.9eV. Taking account of spin orbital coupling and correlation effect (U), the first-principles calculations based on density functional theory were used to intercept this variation. The theoretical results illustrate that the variation is attributed to the lower Ir 5d orbital in energy and stronger orbital hybridization between the oxygen 2p orbital and the Ir 5d orbital near the Fermi surface. These results suggest that we can widely modulate the bandgap through B-site chemical substitution based on the Y2Hf2O7 thin film. |
| 资助项目 | National Key R&D Program of China[2017YFA0403600] ; National Natural Science Foundation of China[U1532149] ; Chinese Academy of Sciences Large-Scale Scientific Facility[U1532149] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000636945000002 |
| 出版者 | AMER INST PHYSICS |
| 资助机构 | National Key R&D Program of China ; National Natural Science Foundation of China ; Chinese Academy of Sciences Large-Scale Scientific Facility |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/121612]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Hu, L.; Zhu, X. B. |
| 作者单位 | 1.Chinese Acad Sci, High Field Magnet Lab, HFIPS, Hefei 230031, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 3.Anhui Univ, Inst Phys Sci, Hefei 230601, Anhui, Peoples R China 4.Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Peoples R China 5.Univ Sci & Technol China, Hefei 230026, Peoples R China 6.Anhui Univ, Inst Informat Technol, Hefei 230601, Anhui, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, M.,Liang, X.,Yang, B. B.,et al. Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution[J]. APPLIED PHYSICS LETTERS,2021,118. |
| APA | Zhu, M..,Liang, X..,Yang, B. B..,Zhu, S. J..,Xie, C..,...&Sun, Y. P..(2021).Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution.APPLIED PHYSICS LETTERS,118. |
| MLA | Zhu, M.,et al."Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution".APPLIED PHYSICS LETTERS 118(2021). |
入库方式： OAI收割
来源：合肥物质科学研究院
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