Structural, Elastic, and Electronic Properties of ReB2 : A First-Principles Calculation
Joint Authors
Jin, Hao
Dai, Ying
Huang, Baibiao
Long, Run
Source
Issue
Vol. 2008, Issue 2008 (31 Dec. 2008), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2008-02-28
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
The structural, elastic, and electronic properties of the hard material ReB2 have been investigated by means of density functional theory.
The calculated equilibrium structural parameters of ReB2 are in agreement with the experimental results.
Our result of bulk modulus shows that it is a low compressible material.
Furthermore, the elastic anisotropy is discussed by investigating the elastic stiffness constants.
The charge density and the electronic properties indicate that the covalent bonding of Re-B and B-B plays an important role in formation of a hard material.
The good metallicity and hardness of ReB2 might serve as hard conductors.
American Psychological Association (APA)
Long, Run& Dai, Ying& Jin, Hao& Huang, Baibiao. 2008. Structural, Elastic, and Electronic Properties of ReB2 : A First-Principles Calculation. Research Letters in Physics،Vol. 2008, no. 2008, pp.1-5.
https://search.emarefa.net/detail/BIM-461041
Modern Language Association (MLA)
Long, Run…[et al.]. Structural, Elastic, and Electronic Properties of ReB2 : A First-Principles Calculation. Research Letters in Physics No. 2008 (2008), pp.1-5.
https://search.emarefa.net/detail/BIM-461041
American Medical Association (AMA)
Long, Run& Dai, Ying& Jin, Hao& Huang, Baibiao. Structural, Elastic, and Electronic Properties of ReB2 : A First-Principles Calculation. Research Letters in Physics. 2008. Vol. 2008, no. 2008, pp.1-5.
https://search.emarefa.net/detail/BIM-461041
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-461041
