In search of new candidates for ultra-hard materials: the ternary BC3N3 stoichiometry
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | WEIHRICH, Richard | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | BETRANHANDY, Emmanuel | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| dc.date.issued | 2003 | |
| dc.identifier.issn | 0022-3697 | |
| dc.description.abstractEn | 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 and three dimensional structures (2D and 3D)... | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Ultra hard materials | |
| dc.subject.en | Inorganic compounds | |
| dc.subject.en | Stoichiometry | |
| dc.subject.en | BC3N3 | |
| dc.title.en | In search of new candidates for ultra-hard materials: the ternary BC3N3 stoichiometry | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/S0022-3697(03)00171-9 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Physics and Chemistry of Solids | |
| bordeaux.page | 1539-1545 | |
| bordeaux.volume | 64 | |
| bordeaux.issue | 9-10 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00177532 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00177532v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Physics%20and%20Chemistry%20of%20Solids&rft.date=2003&rft.volume=64&rft.issue=9-10&rft.spage=1539-1545&rft.epage=1539-1545&rft.eissn=0022-3697&rft.issn=0022-3697&rft.au=WEIHRICH,%20Richard&BETRANHANDY,%20Emmanuel&MATAR,%20Samir%20F.&rft.genre=article |
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