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In search of new candidates for ultra-hard materials: the ternary BC₃N₃ stoichiometry

Weihrich, Richard, Matar, S.F. and Betranhandy, E. (2003) In search of new candidates for ultra-hard materials: the ternary BC₃N₃ stoichiometry. Journal of Physics and Chemistry of Solids 64 (9-10), pp. 1539-1545.

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Abstract

Starting from formerly investigated graphitic like C3N4, selective substitution of nitrogen with boron led to model structures for the experimentally observed BC3N3 stoichiometry. Investigations of the geometry optimisation and of the electronic properties were carried out using pseudo potential and full potential computations in the framework of the local density functional theory for the two ...

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Item type:Article
Date:2003
Institutions:Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich
Identification Number:
ValueType
10.1016/S0022-3697(03)00171-9DOI
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:13925
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