Interplay of electronic structure and bulk properties in 2D and 3D ternary carbonitrides from first principles
| 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. | |
| hal.structure.identifier | Faculté de génie – section II | |
| dc.contributor.author | EL-KFOURY, Charbel | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | ETOURNEAU, Jean | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | WEIHRICH, Richard | |
| dc.date.issued | 2004 | |
| dc.identifier.issn | 0044-2313 | |
| dc.description.abstractEn | The charge in electronic structure and hardness as inferred from the bulk modulus are investigated for model structures of ternary compounds... | |
| dc.language.iso | en | |
| dc.publisher | Wiley-VCH Verlag | |
| dc.subject.en | Carbonitrides | |
| dc.subject.en | Bulk modulus | |
| dc.subject.en | DFT | |
| dc.subject.en | LDA | |
| dc.subject.en | US-PP | |
| dc.subject.en | ELF | |
| dc.subject.en | ASW | |
| dc.title.en | Interplay of electronic structure and bulk properties in 2D and 3D ternary carbonitrides from first principles | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1002/zaac.200400401 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie | |
| bordeaux.page | 2587-2598 | |
| bordeaux.volume | 630 | |
| bordeaux.issue | 15 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00156733 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00156733v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Inorganic%20and%20General%20Chemistry%20/%20Zeitschrift%20f%C3%BCr%20anorganische%20und%20allgemeine%20Chemie&rft.date=2004&rft.volume=630&rft.issue=15&rft.spage=2587-2598&rft.epage=2587-2598&rft.eissn=0044-2313&rft.issn=0044-2313&rft.au=BETRANHANDY,%20Emmanuel&MATAR,%20Samir%20F.&EL-KFOURY,%20Charbel&ETOURNEAU,%20Jean&WEIHRICH,%20Richard&rft.genre=article |
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