Nature of empty states in superconducting CaC6and related Li-Ca ternary graphite intercalation compounds using polarized x-ray absorption near-edge structure at the CaKedge
| Autor: | P. Lagrange, Andrei Rogalev, Nicolas Emery, Claire Hérold, G. Loupias, Ch. Bellin, Fabrice Wilhelm, Delphine Cabaret |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Superconductivity
Materials science Intercalation (chemistry) Analytical chemistry 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences XANES Spectral line 3. Good health Electronic Optical and Magnetic Materials Condensed Matter::Materials Science K-edge 0103 physical sciences Density functional theory Graphite 010306 general physics 0210 nano-technology Ternary operation |
| Zdroj: | Physical Review B. 87 |
| ISSN: | 1550-235X 1098-0121 |
| DOI: | 10.1103/physrevb.87.075108 |
| Popis: | first-principles calculations based on density functional theory were performed,including XANES modeling and projected density-of-state simulations. A good agreement is obtained betweentheoretical and experimental polarized spectra. This enables us to assign the main XANES peaks in terms oforbitalhybridization.ThethoroughanalysisoftheCaC |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|