High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti(3)AlC(2)

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	High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti(3)AlC(2)
	H. B. Zhang ; X. Wu ; K. G. Nickel ; J. X. Chen ; V. Presser
刊名	Journal of Applied Physics
	2009
卷号	106 期号:1
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 liquid reaction synthesis electronic-structure gpa compression ti3sic2 behavior crystal ti3gec2 sn
ISSN号	0021-8979
中文摘要	The structural stability of the layered ternary carbide Ti(3)AlC(2) 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 Ti(3)AlC(2) 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 Ti(3)AlC(2).
原文出处	://WOS:000268065000046
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/32539]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	H. B. Zhang,X. Wu,K. G. Nickel,et al. High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti(3)AlC(2)[J]. Journal of Applied Physics,2009,106(1).
APA	H. B. Zhang,X. Wu,K. G. Nickel,J. X. Chen,&V. Presser.(2009).High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti(3)AlC(2).Journal of Applied Physics,106(1).
MLA	H. B. Zhang,et al."High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti(3)AlC(2)".Journal of Applied Physics 106.1(2009).