Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization

doi:10.1002/adom.202401143

IMR OpenIR

	Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization
	Lai, Junwen 1,2; Zhan, Jie 1,2; Liu, Peitao 1,2; Shirakawa, Tomonori 3,4,5; Seiji, Yunoki 3,4,5,6; Chen, Xing-Qiu 1,2; Sun, Yan 1,2
通讯作者	Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) ; Sun, Yan(sunyan@imr.ac.cn)
	2024-06-29
发表期刊	ADVANCED OPTICAL MATERIALS
ISSN	2195-1071
页码	8
摘要	Bulk photovoltaic effect, i.e. shift current, is a nonlinear second-order optical response that can rectify an alternating current (AC) electric field into a direct current (DC). Depending on the wavelength of the incident light, shift current finds applications in various fields, including solar energy conversion and radiation detection. Its promising application in energy conversion and information processing has inspired investigations to uncover the relationship between shift current and electronic structures of materials. Despite numerous efforts dedicated to designing principles for strong bulk photovoltaic effect materials, the only widely accepted crucial parameter is the joint density of states (JDOS). In this study, employing effective model analysis and first-principles calculations, an enhancement effect of bulk photovoltaic effect is found to arise from band hybridization that is typically along with anti-crossing-like electronic band structures, similar to the Berry curvature effects in intrinsic anomalous Hall conductivity. While this mechanism does not offer a comprehensive understanding of the relationship between electronic structure and the magnitude of bulk photovoltaic effect, it represents practical progress in the design of materials with strong bulk photovoltaic effect. This work reveals that the band hybridization of material can serve as a universal mechanism for enhancing non-linear photocurrent based on both model and realistic material study. This improved understanding provids another practical guiding principle for designing high-performance nonlinear optical materials other than the joint density of states. image
关键词	band inversion bulk photovoltaic effect DFT calculations shift current
资助者	National Key R&D Program of China ; National Natural Science Foundation of China ; Liaoning Province
DOI	10.1002/adom.202401143
收录类别	SCI
语种	英语
资助项目	National Key R&D Program of China[2021YFB3501503] ; National Natural Science Foundation of China[52271016] ; National Natural Science Foundation of China[52188101] ; Liaoning Province[XLYC2203080]
WOS研究方向	Materials Science ; Optics
WOS类目	Materials Science, Multidisciplinary ; Optics
WOS记录号	WOS:001257480900001
出版者	WILEY-V C H VERLAG GMBH
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/187602
专题	中国科学院金属研究所
通讯作者	Chen, Xing-Qiu; Sun, Yan
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Shenyang Univ Technol, Sch Mat Sci & Engn, Shenyang 110023, Peoples R China 3.RIKEN, Computat Mat Sci Res Team, Ctr Computat Sci R CCS, Hyogo 6500047, Japan 4.RIKEN, Computat Condensed Matter Phys Lab, Cluster Pioneering Res CPR, Saitama 3510198, Japan 5.RIKEN, Ctr Quantum Comp RQC, Quantum Computat Sci Res Team, Saitama 3510198, Japan 6.RIKEN, Ctr Emergent Matter Sci CEMS, Computat Quantum Matter Res Team, Saitama 3510198, Japan
推荐引用方式 GB/T 7714	Lai, Junwen,Zhan, Jie,Liu, Peitao,et al. Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization[J]. ADVANCED OPTICAL MATERIALS,2024:8.
APA	Lai, Junwen.,Zhan, Jie.,Liu, Peitao.,Shirakawa, Tomonori.,Seiji, Yunoki.,...&Sun, Yan.(2024).Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization.ADVANCED OPTICAL MATERIALS,8.
MLA	Lai, Junwen,et al."Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization".ADVANCED OPTICAL MATERIALS (2024):8.