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Electronic structure of the layered ternary carbides Ti2SnC and Ti2GeC
Zhou, YC; Dong, HY; Wang, XH; Chen, SQ
Corresponding AuthorZhou, YC()
2000-11-20
Source PublicationJOURNAL OF PHYSICS-CONDENSED MATTER
ISSN0953-8984
Volume12Issue:46Pages:9617-9627
AbstractThe 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.
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000165549100012
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:27[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/110381
Collection中国科学院金属研究所
Corresponding AuthorZhou, YC
AffiliationChinese Acad Sci, Met Res Inst, Ceram & Composite Dept, Shenyang 110015, Peoples R China
Recommended Citation
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.
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