中国科学院重庆绿色智能技术研究院机构知识库

QQ客服 官方微博 反馈留言

	Second-order nonlinear optical properties of bulk GeC polytypes, g-GeC and corresponding nanotubes: first-principles calculations
	Hu, Lei1; Wei, Dongshan2
	2017
摘要	Very recently, researchers have found that low-dimensional materials display more intriguing second-order nonlinear optical (NLO) phenomena and possess larger second-order NLO susceptibilities than the corresponding bulk forms. Here, we perform a systematic first-principles study of the second-order NLO properties and linear electro-optical coefficients of GeC bulk polytypes, g-GeC and corresponding nanotubes. Remarkably, the second-order NLO susceptibility chi ((2)) of g-GeC and corresponding nanotubes can be comparable with that of the archetypical NLO semiconductor GaAs. Therefore, g-GeC and corresponding nanotubes have potential applications in NLO and electro-optical devices. We also quantitatively calculate the second-order NLO response contributions from the high density of states near the VBM via dividing NLO susceptibilities into contributions from different valence bands, revealing that the high density of states is the origin of the strong NLO responses in g-GeC and corresponding nanotubes. Such a mechanism will help to find excellent NLO materials more effectively. Moreover, the prominent features in the spectra of chi ((2))( 2 omega, omega, omega) of GeC polytypes are analyzed in terms of single-and doublephoton resonances.
DOI	10.1039/c6cp07573h
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
卷号	19期号:3页码:2235-2244
通讯作者	Wei, DS (reprint author), Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing Key Lab Multiscale Mfg Technol, Chongqing 400714, Peoples R China.
收录类别	SCI
WOS记录号	WOS:000394426400061
语种	英语