Structural stability and electronic properties of Co2N, Rh2N and Ir2N

	Structural stability and electronic properties of Co2N, Rh2N and Ir2N
	Wu ZJ ; Zhao EJ
刊名	journal of physics and chemistry of solids
	2008
卷号	69 期号:11 页码:2723-2727
关键词	DIAMOND-ANVIL CELL CRYSTAL-STRUCTURE 10 GPA NITRIDES NITROGEN CON
ISSN号	0022-3697
通讯作者	wu zj
中文摘要	the structural stability and electronic properties of co2n, rh2n and ir2n were studied by using the first principles based on the density functional theory. two structures were considered for each nitride, orthorhombic pnnm phase and cubic pa (3) over bar phase. the results show that they are all mechanically stable. co2n in both phases are thermodynamically stable due to the negative formation energy, while the remaining two compounds are thermodynamically unstable.
收录类别	SCI
语种	英语
公开日期	2010-04-14 ; 2011-06-09
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/10607]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Wu ZJ,Zhao EJ. Structural stability and electronic properties of Co2N, Rh2N and Ir2N[J]. journal of physics and chemistry of solids,2008,69(11):2723-2727.
APA	Wu ZJ,&Zhao EJ.(2008).Structural stability and electronic properties of Co2N, Rh2N and Ir2N.journal of physics and chemistry of solids,69(11),2723-2727.
MLA	Wu ZJ,et al."Structural stability and electronic properties of Co2N, Rh2N and Ir2N".journal of physics and chemistry of solids 69.11(2008):2723-2727.