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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Veröffentlicht in:	Solid state communications 2010, Vol.150 (1), p.133-136
Hauptverfasser:	Nkambule, Sifiso Musa, Lowther, J.E.
Format:	Artikel
Sprache:	eng
Schlagworte:	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
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	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