First-Principles Study on Elastic Properties and Electronic Structure of Ti1-xAlxN

Xin Tan; Zhen Yang Xin; Xue Jie Liu; Qing Bin Zhang; Yichao Jia

doi:10.4028/www.scientific.net/AMR.690-693.2171

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 690-693First-Principles Study on Elastic Properties and...

First-Principles Study on Elastic Properties and Electronic Structure of Ti_1-xAl_xN

Abstract:

As excellent performance coating material, the TiAlN coating has become alternative to TiN coating, with a very broad application prospects. We calculated the lattice constants, elastic parameters, electronic constants of Ti_1-xAl_xN. Its elastic constants trend was downward as the Al element contents increasing, and its brittleness fell. We had analysed the band structure and density of states of TiA1N, and TiA1N was illustrated to be conductor.

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Periodical:

Advanced Materials Research (Volumes 690-693)

Pages:

2171-2174

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.690-693.2171

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Online since:

May 2013

Authors:

Xin Tan, Zhen Yang Xin, Xue Jie Liu, Qing Bin Zhang, Yichao Jia

Keywords:

Elastic Property, Electronic Structure, First-Principle, TiAlN

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