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 |
| Publicado: |
American Chemical Society
8/9/2006
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| Sumario: | 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. |
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