Crystalline and random “diamond-like” boron–carbon structures

The bulk properties and relative stabilities of B–C structures are studied using both first-principles and molecular dynamics simulations that employ Tersoff potentials. The elastic properties of the B–C structures are deduced and some properties of random structures compared with possible crystalli...

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Bibliographic Details
Published in:Solid state communications 2010, Vol.150 (1), p.133-136
Main Authors: Nkambule, Sifiso Musa, Lowther, J.E.
Format: Article
Language:English
Subjects:
A. Boron
A. Diamond
C. Elastic constants
C. Electronic structure
Condensed matter: structure, mechanical and thermal properties
Elasticity, elastic constants
Exact sciences and technology
Mechanical and acoustical properties of condensed matter
Mechanical properties of solids
Physics
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Summary:The bulk properties and relative stabilities of B–C structures are studied using both first-principles and molecular dynamics simulations that employ Tersoff potentials. The elastic properties of the B–C structures are deduced and some properties of random structures compared with possible crystalline counterparts.
ISSN:0038-1098
1879-2766
DOI:10.1016/j.ssc.2009.09.041