Electronic structure and bonding properties of layered machinable Ti2AlC and Ti2AlN ceramics

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	Electronic structure and bonding properties of layered machinable Ti2AlC and Ti2AlN ceramics
	Zhou, YC; Sun, ZM
通讯作者	Zhou, YC()
	2000-05-15
发表期刊	PHYSICAL REVIEW B
ISSN	1098-0121
卷号	61 期号:19 页码:12570-12573
摘要	The electronic structure and chemical bonding of the layered ternary compounds Ti2AlC and Ti2AlN have been calculated by the ab initio pseudopotential total-energy method. The results show that Ti2AlC and Ti2AlN exhibit metallic electrical conductivity with an anisotropic character and Ti2AlC should be more conductive than Ti2AlN. The chemical bonding in Ti2AlC and Ti2AlN is also anisotropic and is metallic-covalent-ionic in nature. On the basis of total-energy estimation we conclude that the replacement of C by N will result in a stabilization of the hexagonal structure and decrease in metallic properties.
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000087159100006
出版者	AMER PHYSICAL SOC
引用统计	被引频次：190[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/321006/110546
专题	中国科学院金属研究所
通讯作者	Zhou, YC
作者单位	Chinese Acad Sci, Met Res Inst, Ceram & Composite Dept, Shenyang 110015, Peoples R China
推荐引用方式 GB/T 7714	Zhou, YC,Sun, ZM. Electronic structure and bonding properties of layered machinable Ti2AlC and Ti2AlN ceramics[J]. PHYSICAL REVIEW B,2000,61(19):12570-12573.
APA	Zhou, YC,&Sun, ZM.(2000).Electronic structure and bonding properties of layered machinable Ti2AlC and Ti2AlN ceramics.PHYSICAL REVIEW B,61(19),12570-12573.
MLA	Zhou, YC,et al."Electronic structure and bonding properties of layered machinable Ti2AlC and Ti2AlN ceramics".PHYSICAL REVIEW B 61.19(2000):12570-12573.