| 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 Author | Nickel, Klaus Georg(klaus.nickel@uni-tuebingen.de) |
| 2009-07-01 | |
| Source Publication | JOURNAL OF APPLIED PHYSICS
 |
| ISSN | 0021-8979 |
| Volume | 106Issue:1Pages:5 |
| Abstract | 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. |
| Keyword | ab initio calculations elastic moduli electronic structure equations of state high-pressure effects lattice constants space groups titanium compounds X-ray diffraction |
| DOI | 10.1063/1.3159035 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| WOS ID | WOS:000268065000046 |
| Publisher | AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/96011 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Nickel, Klaus Georg |
| Affiliation | 1.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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