Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Aligia, Armando Angel | - |
| dc.date | 2016-02-01T19:03:20Z | - |
| dc.date | 2016-02-01T19:03:20Z | - |
| dc.date | 2013-08 | - |
| dc.date | 2016-03-30 10:35:44.97925-03 | - |
| dc.date.accessioned | 2019-04-29T15:48:06Z | - |
| dc.date.available | 2019-04-29T15:48:06Z | - |
| dc.date.issued | 2013-08 | - |
| dc.identifier | Aligia, Armando Angel; Effect of covalency and interactions on the trigonal splitting in Na x CoO2; American Physical Society; Physical Review B; 88; 7; 8-2013; 75-128 | - |
| dc.identifier | 1098-0121 | - |
| dc.identifier | http://hdl.handle.net/11336/3939 | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/302388 | - |
| dc.description | We calculate the effective trigonal crystal field Delta that splits the t2g levels of effective models for Nax CoO2 as the local symmetry around a Co ion is reduced from Oh to D3d . To this end, we solve numerically a CoO6 cluster containing a Co ion with all 3d states and their interactions included, and its six nearest-neighbor O atoms, with the geometry of the system, in which the CoO6 octahedron is compressed along a C3 axis. We obtain Delta≈ 130 meV, with the sign that agrees with previous quantum chemistry calculations but disagrees with first-principles results in the local density approximation (LDA). We find that Delta is very sensitive to a Coulomb parameter that controls the Hund coupling and charge distribution among the d orbitals. The origin of the discrepancy with LDA results is discussed. | - |
| dc.description | Fil: Aligia, Armando Angel. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Patagonia Norte; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | American Physical Society | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.88.075128 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/arxiv/1308.5162 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.88.075128 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://arxiv.org/abs/1308.5162 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/issn/1098-0121 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.88.075128 | - |
| dc.rights | info:eu-repo/semantics/openAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/3939 | - |
| dc.subject | Covalency | - |
| dc.subject | Interactions | - |
| dc.subject | Splitting | - |
| dc.subject | NaxCoO2 | - |
| dc.subject | Física de los Materiales Condensados | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Effect of covalency and interactions on the trigonal splitting in Na x CoO2 | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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