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High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
Zhang, Haibin1; Wu, Xiang2; Nickel, Klaus Georg1; Chen, Jixin3; Presser, Volker1
Corresponding AuthorNickel, Klaus Georg(klaus.nickel@uni-tuebingen.de)
2009-07-01
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume106Issue:1Pages:5
AbstractThe structural stability of the layered ternary carbide Ti3AlC2 was studied up to 35 GPa using x-ray diffraction with a Merrill-Basset-type diamond anvil cell and ab initio calculations. The structure (P6(3)/mmc) was stable in the present pressure range without any phase transition. The Birch-Murnaghan equation of state was employed to fit the experimental pressure-volume date, from which the isothermal bulk modulus of Ti3AlC2 was determined as 156 +/- 5 GPa, which was also supported by theoretical results. In addition, theoretical calculations described anisotropic pressure dependences of the lattice parameters, electronic structure, and bonding properties of Ti3AlC2.
Keywordab initio calculations elastic moduli electronic structure equations of state high-pressure effects lattice constants space groups titanium compounds X-ray diffraction
DOI10.1063/1.3159035
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000268065000046
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:14[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/96011
Collection中国科学院金属研究所
Corresponding AuthorNickel, Klaus Georg
Affiliation1.Univ Tubingen, Inst Geosci, D-72074 Tubingen, Germany
2.Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany
3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Haibin,Wu, Xiang,Nickel, Klaus Georg,et al. High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2[J]. JOURNAL OF APPLIED PHYSICS,2009,106(1):5.
APA Zhang, Haibin,Wu, Xiang,Nickel, Klaus Georg,Chen, Jixin,&Presser, Volker.(2009).High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2.JOURNAL OF APPLIED PHYSICS,106(1),5.
MLA Zhang, Haibin,et al."High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2".JOURNAL OF APPLIED PHYSICS 106.1(2009):5.
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