Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
| dc.contributor.author | WATSON, GRAEME | en |
| dc.contributor.author | SCANLON, DAVID | en |
| dc.date.accessioned | 2011-02-15T17:04:12Z | |
| dc.date.available | 2011-02-15T17:04:12Z | |
| dc.date.issued | 2009 | en |
| dc.date.submitted | 2009 | en |
| dc.identifier.citation | Shin, D, Foord, JS, Payne, DJ, Arnold, T, Aston, DJ, Egdell, RG, Godinho, KG, Scanlon, DO, Morgan, BJ, Watson, GW, Mugnier, E, Yaicle, C, Rougier, A, Colakerol, L, Glans, PA, Piper, LFJ, Smith, KE, Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy, PHYSICAL REVIEW B, 80, 2009, 233105 | en |
| dc.identifier.other | Y | en |
| dc.identifier.uri | http://hdl.handle.net/2262/50584 | |
| dc.description | PUBLISHED | en |
| dc.description.abstract | The widths of the valence bands in the copper (I) delafossites CuGaO2, CuInO2, and CuScO2 have been measured by O?K-shell x-ray emission spectroscopy and are compared with previous experimental work on CuAlO2 and CuCrO2. In agreement with recent density-functional theory calculations it is found that the bandwidth decreases in the series CuAlO2>CuGaO2>CuInO2>CuScO2. It is shown that states at the top of the valence band are of dominant Cu?3dz2 atomic character but with significant mixing with O?2p states. | en |
| dc.description.sponsorship | Experimental work on transparent conducting oxides in Oxford was supported under EPSRC under Grant No. GR/ S94148 and the Scienta XPS facility by EPSRC under Grant No. EP/E025722/1. The Boston University program is supported in part by the U.S. Department of Energy under Grant No. DE-FG02-98ER45680 and in part by the Donors of the American Chemical Society Petroleum Research Fund. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02- 05CH11231. Theoretical work in TCD is funded by Science Foundation Ireland under PI Grants No. 06/IN.1/I92 and No. 06/IN.1/I92/EC07. D.S. is grateful to the Korea Industrial Technology Foundation (KOTEF) for support. | en |
| dc.format.extent | 233105 | en |
| dc.language.iso | en | en |
| dc.relation.ispartofseries | PHYSICAL REVIEW B | en |
| dc.relation.ispartofseries | 80 | en |
| dc.rights | Y | en |
| dc.subject | Physical chemistry | en |
| dc.subject | Delafossite | en |
| dc.subject | XES | en |
| dc.subject | DFT | en |
| dc.title | Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy | en |
| dc.type | Journal Article | en |
| dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
| dc.type.supercollection | scholarly_publications | en |
| dc.type.supercollection | refereed_publications | en |
| dc.identifier.peoplefinderurl | http://people.tcd.ie/watsong | en |
| dc.identifier.rssinternalid | 71059 | en |
| dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.80.233105 | en |
| dc.subject.TCDTheme | Neuroscience | en |
| dc.identifier.rssuri | http://link.aps.org/doi/10.1103/PhysRevB.80.233105 | en |
Files in this item
This item appears in the following Collection(s)
-
RSS Feeds
-
Chemistry (Scholarly Publications)
Chemistry (Scholarly Publications)