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Tunable 5d-t2g Mott State and Monoatomic Layer Two-Dimensional Electron Gas Realized in Spin-Orbit-Coupled SrIrO3 through Heterostructuring

文献类型：期刊论文

作者Li, Miao1,2; Ding, Zhenyu1,2; Li, Liangyu1,2; Liu, Yuqiang1,2; Yang, Shuo-Wang3; Wu, Gang3; Yang, Xiaoping1
刊名ACS APPLIED ELECTRONIC MATERIALS
出版日期2024-07-16
关键词iridates oxide heterostructures Mott insulator-metaltransition monatomic layer two-dimensional electron gas spin-orbit coupling first-principles calculations
DOI10.1021/acsaelm.4c01015
通讯作者Wu, Gang(wug@ihpc.a-star.edu.sg) ; Yang, Xiaoping(xpyang@hmfl.ac.cn)
英文摘要We employ density functional theory in combination with a correlation U correction to elucidate a complete charge transfer phenomenon between the interfacial Ti-t(2g) orbitals and Ir-t(2g) orbitals within spin-orbit-coupled (SrIrO3)(m)/(LaTiO3)(1) superlattices. This charge transfer is driven by the interfacial polarity difference and oxygen octahedral distortion. Our investigation shows that hole doping of the LaTiO3 layer or increasing the number m of SrIrO3 layers offers an effective means to modulate the charge transfer and the electron occupation within the J(eff) = 1/2 5d-bands of Ir atoms. This modulation leads to the emergence of various electronic states, including nonmagnetic band insulating (SrIrO3)(1)/(LaTiO3)(1), ferromagnetic metallic (SrIrO3)(1)/(La1-xBaxTiO3)(1), ferrimagnetic Mott insulating (SrIrO3)(2)/(LaTiO3)(1), and ferrimagnetic metallic (SrIrO3)(m)/(LaTiO3)(1) with m >= 3. Notably, we find that charge transfer and the two-dimensional electron gas phenomenon occur exclusively at the interfacial IrO2 monatomic layers of (SrIrO3)(m)/(LaTiO3)(1), regardless of the thickness of the SrIrO3 layer. This behavior sharply contrasts with the characteristics of the LaAlO3/SrTiO3 system, where the 2DEG extends across multiple unit cells. Our research provides fresh insights into the unconventional 5d electronic structures of spin-orbit-coupled iridates, particularly those with less-explored fractionally occupied mixed valence state (Ir3.3+/Ir3.7+), suggesting their potential for application in nanoscale oxide electronic devices.
WOS关键词INITIO MOLECULAR-DYNAMICS ; PHYSICS
资助项目National Key Research and Development Program of China[2021YFA1600204] ; National Key Research and Development Program of China[2018YFA0305700] ; National Natural Science Foundation of China (NSFC)[12174397] ; High Magnetic Field Laboratory of Anhui Province[AHHM-FX-2021-03] ; MTC Programmatic fund[M24M8b0004]
WOS研究方向Engineering ; Materials Science
语种英语
WOS记录号WOS:001270099000001
出版者AMER CHEMICAL SOC
资助机构National Key Research and Development Program of China ; National Natural Science Foundation of China (NSFC) ; High Magnetic Field Laboratory of Anhui Province ; MTC Programmatic fund
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/137110]  
专题中国科学院合肥物质科学研究院
通讯作者Wu, Gang; Yang, Xiaoping
作者单位1.Chinese Acad Sci, High Magnet Field Lab Anhui Prov, High Magnet Field Lab, HFIPS, Hefei 230031, Peoples R China
2.Univ Sci & Technol China, Sci Isl Branch, Grad Sch, Hefei 230026, Peoples R China
3.ASTAR, Inst High Performance Comp IHPC, Mat Sci & Chem, Singapore 138632, Singapore
推荐引用方式
GB/T 7714		 Li, Miao,Ding, Zhenyu,Li, Liangyu,et al. Tunable 5d-t2g Mott State and Monoatomic Layer Two-Dimensional Electron Gas Realized in Spin-Orbit-Coupled SrIrO3 through Heterostructuring[J]. ACS APPLIED ELECTRONIC MATERIALS,2024.
APA Li, Miao.,Ding, Zhenyu.,Li, Liangyu.,Liu, Yuqiang.,Yang, Shuo-Wang.,...&Yang, Xiaoping.(2024).Tunable 5d-t2g Mott State and Monoatomic Layer Two-Dimensional Electron Gas Realized in Spin-Orbit-Coupled SrIrO3 through Heterostructuring.ACS APPLIED ELECTRONIC MATERIALS.
MLA Li, Miao,et al."Tunable 5d-t2g Mott State and Monoatomic Layer Two-Dimensional Electron Gas Realized in Spin-Orbit-Coupled SrIrO3 through Heterostructuring".ACS APPLIED ELECTRONIC MATERIALS (2024).

入库方式： OAI收割

来源：合肥物质科学研究院

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