Chemical Control of Electronic Structure and Superconductivity in Layered Borides and Borocarbides: Understanding the Absence of Superconductivity in LiBC.
The synthetic search for materials related to the 39 K superconductor MgB has been difficult. The most promising theoretical suggestion, hole doping of LiBC, does not lead to a new superconductor. We show here that a combination of density functional theory (DFT) calculations, materials synthesis, a...
| Publicado en: | Journal of the American Chemical Society Vol. 128; no. 31; pp. 10043 - 10054 |
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| Autores principales: | , , , , |
| Formato: | Artículo |
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American Chemical Society
8/9/2006
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=22070583&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 22070583 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 8/9/2006 vid: 128 iid: 31 pid: 997 pub: American Chemical Society artinfo: ui: 22070583 10.1021/ja0578449 ppf: 10043 ppct: 11 formats: tig: atl: Chemical Control of Electronic Structure and Superconductivity in Layered Borides and Borocarbides: Understanding the Absence of Superconductivity in LiBC. aug: au: Fogg, Andrew M. Meldrum, James Darling, George R. Claridge, John B. Rosseinsky, Matthew J. affil: Department of Chemistry, University of Liverpool, Liverpool, L69 7ZD United Kingdom. su: Superconductors Density functionals Superconductivity Electronic structure Atomic structure Electric conductivity sug: subj: Superconductors Density functionals Superconductivity Electronic structure Atomic structure Electric conductivity ab: The synthetic search for materials related to the 39 K superconductor MgB has been difficult. The most promising theoretical suggestion, hole doping of LiBC, does not lead to a new superconductor. We show here that a combination of density functional theory (DFT) calculations, materials synthesis, and structural characterization reveals the origin of the puzzling absence of superconductivity in LiBC as a subtle change in the electronic structure driven by structural response to the introduction of holes. This indicates that the unique aspects of the electronic structure of MgB will be demanding to replicate in other systems. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2006 holdings: @attributes: islocal: N |
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