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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 321-324First-Principles Calculation of Elastic Constants...

First-Principles Calculation of Elastic Constants for FeP

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Abstract:

The elastic constants of FeP with orthorhombic structure were calculated by using the density-functional theory method. The formation enthalpy, electronic density of states, bulk modulus, and lattice parameters of orthorhombic FeP were also calculated. All of the results are in good agreement with the experimental data and theoretical results available. The results indicate that orthorhombic FeP intermetallic compound is brittleness.

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Periodical:

Applied Mechanics and Materials (Volumes 321-324)

Pages:

1761-1765

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.321-324.1761

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Online since:

June 2013

Authors:

Jian Ying Li, Jing Zhang, Qi Zhi Cao, Yi Fang Ouyang

Keywords:

Elastic Constants, FeP Intermetallic Compound, First-Principle, Formation Enthalpy

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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