Theoretical prediction of electronic structures and optical properties of Y-doped gamma-Si3N4

IMR OpenIR

	Theoretical prediction of electronic structures and optical properties of Y-doped gamma-Si3N4
	M. Xu; Y. C. Ding; G. Xiong; W. J. Zhu; H. L. He
	2008
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	403 期号:13-16 页码:2515-2520
摘要	The crystal structures, electronic structures, and optical properties of Y-doped gamma-Si3N4 were studied by using first-principles calculations based upon the density functional theory with Perdew-Burke-Enzerh (PBE) generalized gradient approximation (GGA). The band gap (E-g) of Y-doped gamma-Si3N4 is found to significantly decrease in comparison to that Of gamma-Si3N4. The calculated E-g suggests that gamma-Si3N4 doped with low Y content can be used in the window or absorption material of solar cell, while those doped with high Y concentrations can show metal behavior. The calculation of optical properties shows that the static dielectric constant of gamma-Si3N4 doped with Y is much higher than that of the undoped gamma-Si3N4, implying its special applications in electronics and optics. (C) 2008 Elsevier B.V. All rights reserved.
部门归属	[xu, m.; ding, y. c.; xiong, g.; zhu, w. j.; he, h. l.] sichuan normal univ, lab low dimens struct phys, inst solid state phys, chengdu 610068, peoples r china. [xu, m.; ding, y. c.; xiong, g.; zhu, w. j.; he, h. l.] sichuan normal univ, sch phys & elect engn, chengdu 610068, peoples r china. [xu, m.; ding, y. c.] chengdu univ informat technol, dept optoelect technol, chengdu 610225, peoples r china. [xu, m.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;xu, m (reprint author), sichuan normal univ, lab low dimens struct phys, inst solid state phys, chengdu 610068, peoples r china;hsuming_2001@yahoo.com.cn
关键词	Electronic Structures Optical Property Doping Gamma-si3n4 Silicon-nitride Phase
URL	查看原文
WOS记录号	WOS:000257627300054
引用统计	被引频次：13[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/321006/33248
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. Xu,Y. C. Ding,G. Xiong,et al. Theoretical prediction of electronic structures and optical properties of Y-doped gamma-Si3N4[J]. Physica B-Condensed Matter,2008,403(13-16):2515-2520.
APA	M. Xu,Y. C. Ding,G. Xiong,W. J. Zhu,&H. L. He.(2008).Theoretical prediction of electronic structures and optical properties of Y-doped gamma-Si3N4.Physica B-Condensed Matter,403(13-16),2515-2520.
MLA	M. Xu,et al."Theoretical prediction of electronic structures and optical properties of Y-doped gamma-Si3N4".Physica B-Condensed Matter 403.13-16(2008):2515-2520.