Ag3Ga3SiSe8: a new infrared nonlinear optical material with a   chalcopyrite structure

doi:10.1039/c4ce00817k

CORC > 北京大学 > 化学与分子工程学院

	Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure
	Mei, Dajiang ; Gong, Pifu ; Lin, Zheshuai ; Feng, Kai ; Yao, Jiyong ; Huang, Fuqiang ; Wu, Yicheng
刊名	crystengcomm
	2014
关键词	INDUCED DAMAGE THRESHOLDS 2ND-HARMONIC GENERATION ELECTRONIC-STRUCTURE METAL CHALCOGENIDES CRYSTAL-GROWTH MID-IR SE SERIES TE SELENIDES
DOI	10.1039/c4ce00817k
英文摘要	An infrared (IR) nonlinear optical (NLO) material, Ag3Ga3SiSe8, has been synthesized for the first time. It crystallizes in the tetragonal chalcopyrite AgGaSe2 structure type and the substitution of Ga3+ with Si4+ generates an equal amount of vacancies at the Ag+ position. Ag3Ga3SiSe8 is a congruent melting compound with a melting temperature of 784 degrees C. The second-harmonic generation (SHG) effect of Ag3Ga3SiSe8 is similar to that of AgGaSe2, as confirmed by the first-principles studies. Moreover, the diffuse reflectance spectra reveal that the energy band gap of Ag3Ga3SiSe is 2.30 eV, 0.44 eV larger compared with AgGaSe2 (1.86 eV). The birefringence of Ag3Ga3SiSe8 is predicted to be above 0.1 at the wavelength of 1 mu m, significantly larger than that of AgGaSe2 (Delta n similar to 0.02). Our results indicate that Ag3Ga3SiSe8 may possess improved optical properties compared with AgGaSe2 and has a promising application as a good IR NLO material.; Chemistry, Multidisciplinary; Crystallography; SCI(E); 2; ARTICLE; meidajiang718@pku.edu.cn; 30; 6836-6840; 16
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/150661]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Mei, Dajiang,Gong, Pifu,Lin, Zheshuai,et al. Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure[J]. crystengcomm,2014.
APA	Mei, Dajiang.,Gong, Pifu.,Lin, Zheshuai.,Feng, Kai.,Yao, Jiyong.,...&Wu, Yicheng.(2014).Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure.crystengcomm.
MLA	Mei, Dajiang,et al."Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure".crystengcomm (2014).