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High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2

文献类型：期刊论文

作者Zhang, Haibin2; Wu, Xiang1; Nickel, Klaus Georg2; Chen, Jixin3; Presser, Volker2
刊名JOURNAL OF APPLIED PHYSICS
出版日期2009-07-01
卷号106期号:1页码:5
关键词ab initio calculations elastic moduli electronic structure equations of state high-pressure effects lattice constants space groups titanium compounds X-ray diffraction
ISSN号0021-8979
DOI10.1063/1.3159035
通讯作者Nickel, Klaus Georg(klaus.nickel@uni-tuebingen.de)
英文摘要The 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.
WOS研究方向Physics
语种英语
WOS记录号WOS:000268065000046
出版者AMER INST PHYSICS
源URL[http://ir.imr.ac.cn/handle/321006/96010]  
专题金属研究所_中国科学院金属研究所
通讯作者Nickel, Klaus Georg
作者单位1.Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany
2.Univ Tubingen, Inst Geosci, D-72074 Tubingen, Germany
3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
推荐引用方式
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.

入库方式： OAI收割

来源：金属研究所

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