Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution

doi:10.1063/5.0047701

	Sizeable bandgap modulation in Y2Hf2O7 pyrochlore oxide thin films through B-site substitution
	Zhu, M.4,5; Liang, X.4,5; Yang, B. B.4; Zhu, S. J.4,5; Xie, C.1,6; Hu, L.4; Wei, R. H.4; Lu, W. J.4; Zhu, X. B.4; Sun, Y. P.2,3,4
刊名	APPLIED PHYSICS LETTERS
	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
出版者	AMER INST PHYSICS
WOS记录号	WOS:000636945000002
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
内容类型	期刊论文
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.Anhui Univ, Inst Informat Technol, Hefei 230601, Anhui, Peoples R China 2.Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Peoples R China 3.Chinese Acad Sci, High Field Magnet Lab, HFIPS, Hefei 230031, Peoples R China 4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 5.Univ Sci & Technol China, Hefei 230026, Peoples R China 6.Anhui Univ, Inst Phys Sci, 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).