Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC

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	Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC
	Zhou, YC; Dong, HY; Wang, XH; Chen, SQ
通讯作者	Zhou, YC()
	2000-11-20
发表期刊	JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN	0953-8984
卷号	12 期号:46 页码:9617-9627
摘要	The electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC has been investigated by means of ab initio linear combination of atomic orbital calculations. The calculated band structure shows that the electrical conductivity for both Ti2SnC and Ti2GeC is metallic and anisotropic with a high density of states at the Fermi level. The electrical conductivity of Ti2SnC is, however, higher than that of Ti2GeC. The major factors governing the electronic properties are pd hybridization from Ti 3d and C 2p states. Compared to the structure of TiC, the presence of Sn or Ge changes the Ti-C-Ti-C covalent bond chain into a Ti-C-Ti-Sn or Ti-C-Ti-Ge bond chain through its reaction with Ti, forming the layered structure.
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:000165549100012
出版者	IOP PUBLISHING LTD
引用统计	被引频次：33[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/321006/110381
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,Dong, HY,Wang, XH,et al. Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2000,12(46):9617-9627.
APA	Zhou, YC,Dong, HY,Wang, XH,&Chen, SQ.(2000).Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC.JOURNAL OF PHYSICS-CONDENSED MATTER,12(46),9617-9627.
MLA	Zhou, YC,et al."Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC".JOURNAL OF PHYSICS-CONDENSED MATTER 12.46(2000):9617-9627.