First principles investigations of the electronic, magnetic and chemical bonding properties of CeTSn (T=Rh,Ru)
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | RIECKEN, Jan F. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | CHEVALIER, Bernard | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | AL ALAM, Adel F. | |
| hal.structure.identifier | Institut für Physik | |
| dc.contributor.author | EYERT, Volker | |
| dc.date.issued | 2007 | |
| dc.identifier.issn | 1098-0121 | |
| dc.description.abstractEn | The electronic structures of CeRhSn and CeRuSn are self-consistently calculated within density functional theory using the local spin density approximation for exchange and correlation. In agreement with experimental findings, the analyses of the electronic structures and of the chemical bonding properties point to the absence of magnetization within the mixed valent Rh based system while a finite magnetic moment is observed for trivalent cerium within the Ru-based stannide, which contains both trivalent and intermediate valent Ce. | |
| dc.language.iso | en | |
| dc.publisher | American Physical Society | |
| dc.subject.en | Chemical bouds | |
| dc.subject.en | Electronic properties | |
| dc.subject.en | Magnetic properties | |
| dc.subject.en | Inorganic compounds | |
| dc.subject.en | Rhodium | |
| dc.subject.en | Cerium | |
| dc.subject.en | Ruthenium | |
| dc.title.en | First principles investigations of the electronic, magnetic and chemical bonding properties of CeTSn (T=Rh,Ru) | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1103/PhysRevB.76.174434 | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci] | |
| dc.subject.hal | Chimie/Matériaux | |
| dc.identifier.arxiv | 0708.0188 | |
| bordeaux.journal | Physical Review B: Condensed Matter and Materials Physics (1998-2015) | |
| bordeaux.page | 174434 (6 p.) | |
| bordeaux.volume | 76 | |
| bordeaux.issue | 17 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00168842 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00168842v1 | |
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