Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/5428Registo completo
| Campo DC | Valor | Idioma |
|---|---|---|
| dc.contributor.author | Ribeiro, R. M. | - |
| dc.contributor.author | Coutinho, J. | - |
| dc.contributor.author | Torres, V. J. B. | - |
| dc.contributor.author | Jones, R. | - |
| dc.contributor.author | Sque, S. J. | - |
| dc.contributor.author | Oberg, S. | - |
| dc.contributor.author | Shaw, M. J. | - |
| dc.contributor.author | Briddon, P. R. | - |
| dc.date.accessioned | 2006-08-21T14:41:53Z | - |
| dc.date.available | 2006-08-21T14:41:53Z | - |
| dc.date.issued | 2006 | - |
| dc.date.submitted | 2006 | - |
| dc.identifier.citation | Ribeiro, R. M., Coutinho, J., Torres, V. J. B., Jones, R., Sque, S. J., Öberg, S., … Briddon, P. R. (2006, July 27). Ab initiostudy of CsI and its surface. Physical Review B. American Physical Society (APS). http://doi.org/10.1103/physrevb.74.035430 | - |
| dc.identifier.issn | 1098-0121 | por |
| dc.identifier.uri | https://hdl.handle.net/1822/5428 | - |
| dc.description | Prova tipográfica (In Press) | eng |
| dc.description.abstract | Cesium iodide properties, both in the bulk and on (110) and (100) surfaces, are studied using Density Functional Theory. The bulk lattice constant, bulk modulus and elastic constants are in good agreement with the experimental values. The electronic band structure is also calculated, as well as the density of states. On the surfaces, relaxation of the atoms was performed, and the atomic geometry and electronic structure have been studied. | eng |
| dc.description.sponsorship | Fundação para a Ciência e a Tecnologia (FCT) - Project nr. POCI/FP/63442/2005, Ref. BSAB/466/2004. | por |
| dc.description.sponsorship | Fundação Calouste Gulbenkian. | por |
| dc.language.iso | eng | eng |
| dc.publisher | American Physical Society | por |
| dc.relation | info:eu-repo/grantAgreement/FCT/POCI/POCI%2FFP%2F63442%2F2005/PT | - |
| dc.relation | info:eu-repo/grantAgreement/FCT/FARH/SFRH%2FBSAB%2F466%2F2004/PT | - |
| dc.rights | openAccess | eng |
| dc.subject | Cesium Iodide | eng |
| dc.subject | DFT | eng |
| dc.subject | Band structure | eng |
| dc.subject | Surface | eng |
| dc.subject | Density of states | eng |
| dc.subject | Relaxation | eng |
| dc.subject | Lattice constant | eng |
| dc.subject | Bulk modulus | eng |
| dc.subject | Elastic constants | eng |
| dc.title | Ab initio study of CsI and its surface | eng |
| dc.type | article | por |
| dc.peerreviewed | yes | eng |
| sdum.publicationstatus | in publication | eng |
| oaire.citationIssue | 3 | por |
| oaire.citationVolume | 74 | por |
| dc.identifier.doi | 10.1103/PhysRevB.74.035430 | por |
| dc.subject.wos | Science & Technology | por |
| sdum.journal | Physical Review B | por |
| Aparece nas coleções: | CDF - FMNC - Artigos/Papers (with refereeing) | |
Ficheiros deste registo:
| Ficheiro | Descrição | Tamanho | Formato | |
|---|---|---|---|---|
| prb4.pdf | Accepted version | 2,22 MB | Adobe PDF | Ver/Abrir |
