DOI: 10.1063/1.3159035. High-pressure powder x-ray diffraction experiments and<i>ab initio</i>calculation of Ti3AlC2

High-pressure powder x-ray diffraction experiments andab initiocalculation of Ti3AlC2

10.1063/1.3159035

Crossref journal-article

AIP Publishing

Journal of Applied Physics (317)

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 (P63/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.

Bibliography

Zhang, H., Wu, X., Nickel, K. G., Chen, J., & Presser, V. (2009). High-pressure powder x-ray diffraction experiments andab initiocalculation of Ti3AlC2. Journal of Applied Physics, 106(1).

Authors 5

Haibin Zhang (first)
Xiang Wu (additional)
Klaus Georg Nickel (additional)
Jixin Chen (additional)
Volker Presser (additional)

References 32 Referenced 14

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Dates

Type	When
Created	16 years, 1 month ago (July 9, 2009, 6:15 p.m.)
Deposited	1 year, 5 months ago (March 15, 2024, 12:35 a.m.)
Indexed	3 weeks, 1 day ago (July 30, 2025, 6:54 a.m.)
Issued	16 years, 1 month ago (July 1, 2009)
Published	16 years, 1 month ago (July 1, 2009)
Published Online	16 years, 1 month ago (July 9, 2009)
Published Print	16 years, 1 month ago (July 1, 2009)

Funders 0

None

BibTeX

@article{Zhang_2009, title={High-pressure powder x-ray diffraction experiments andab initiocalculation of Ti3AlC2}, volume={106}, ISSN={1089-7550}, url={http://dx.doi.org/10.1063/1.3159035}, DOI={10.1063/1.3159035}, number={1}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Zhang, Haibin and Wu, Xiang and Nickel, Klaus Georg and Chen, Jixin and Presser, Volker}, year={2009}, month=jul }

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