Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
| Autor: | John S. Foord, David O. Scanlon, L. Colakerol, Benjamin J. Morgan, Graeme W. Watson, Per-Anders Glans, A. Rougier, D. J. Aston, Kevin E. Smith, David J. Payne, D. Shin, Russell G. Egdell, Thomas Arnold, C. Yaicle, Kate G. Godinho, E. Mugnier, Louis F. J. Piper |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: | |
| Zdroj: | PHYSICAL REVIEW B. 80(23) |
| ISSN: | 1550-235X 1098-0121 |
| Popis: | The widths of the valence bands in the copper (I) delafossites ${\text{CuGaO}}_{2}$, ${\text{CuInO}}_{2}$, and ${\text{CuScO}}_{2}$ have been measured by $\text{O}\text{ }K$-shell x-ray emission spectroscopy and are compared with previous experimental work on ${\text{CuAlO}}_{2}$ and ${\text{CuCrO}}_{2}$. In agreement with recent density-functional theory calculations it is found that the bandwidth decreases in the series ${\text{CuAlO}}_{2}g{\text{CuGaO}}_{2}g{\text{CuInO}}_{2}g{\text{CuScO}}_{2}$. It is shown that states at the top of the valence band are of dominant $\text{Cu}\text{ }3{d}_{{z}^{2}}$ atomic character but with significant mixing with $\text{O}\text{ }2p$ states. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|