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

doi:10.1063/1.3159035

CORC > 金属研究所 > 中国科学院金属研究所

	High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
	Zhang, Haibin 2; Wu, Xiang 1; Nickel, Klaus Georg 2; Chen, Jixin 3; Presser, Volker 2
刊名	JOURNAL OF APPLIED PHYSICS
	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
DOI	10.1063/1.3159035
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
出版者	AMER INST PHYSICS
WOS记录号	WOS:000268065000046
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/96013]
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.