Unusual onset of p-element magnetization in a two dimensional structure
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| dc.date.issued | 2016 | |
| dc.identifier.issn | 1293-2558 | |
| dc.description.abstractEn | Based on density functional theory electronic and magnetic structure characterizations an unusual onset of spin polarization of p states is demonstrated leading to a stable ferromagnetic order within a carbon layered honeycomb-like compound. Specifically structural relaxation of formerly studied C2N in 3D network and devised here in 2D layered AlB2-type derived structure shows that the resulting ordered compound maintains the hexagonal crystal symmetry with an exceptionally large c/a ratio leading to strong localization of N states along c and letting magnetization develop within N-pz orbitals with 1.1 μB per formula unit. Anisotropic antibonding interactions between C and N layers allow interpreting the results. The compound is energetically characterized in ferromagnetic ground state versus less stable anti-ferromagnetic order. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Magnetism | |
| dc.subject.en | p-elements | |
| dc.subject.en | 2D structure | |
| dc.subject.en | ELF | |
| dc.subject.en | DFT | |
| dc.title.en | Unusual onset of p-element magnetization in a two dimensional structure | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.solidstatesciences.2016.07.008 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Solid State Sciences | |
| bordeaux.page | 55-58 | |
| bordeaux.volume | 60 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01359627 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01359627v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Solid%20State%20Sciences&rft.date=2016&rft.volume=60&rft.spage=55-58&rft.epage=55-58&rft.eissn=1293-2558&rft.issn=1293-2558&rft.au=MATAR,%20Samir%20F.&rft.genre=article |
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