| dc.contributor.author | WATSON, GRAEME WILLIAM | |
| dc.date.accessioned | 2013-07-23T15:00:20Z | |
| dc.date.available | 2013-07-23T15:00:20Z | |
| dc.date.issued | 2006 | |
| dc.date.submitted | 2006 | en |
| dc.identifier.citation | Payne DJ, Egdell RG, Walsh A, Watson GW, Guo J, Glans PA, Learmonth T, Smith KE, Electronic origins of structural distortions in post-transition metal oxides: Experimental and theoretical evidence for a revision of the lone pair model, Physical Review Letters, 96, 15, 2006, 157403 - 157403 | en |
| dc.identifier.other | Y | |
| dc.description | PUBLISHED | en |
| dc.description.abstract | Structural distortions in post-transition metal oxides are often explained in terms of the influence of sp hybrid "lone pairs." Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted ?-PbO and ?-Bi2O3 have been measured by high-resolution x-ray photoemission and soft x-ray emission spectroscopies. In contrast with the expectations of the lone pair model, a high density of metal 6s states is observed at the bottom of the valence band. The measurements are consistent with the results of density functional theory calculations | en |
| dc.description.sponsorship | We are grateful to the UK EPSRC for support of the
NCESS facility. The Boston University program is sup-
ported in part by the U.S. Department of Energy under DE-
FG02-98ER45680. The Advanced Light Source is sup-
ported by the Director, Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. The Trinity College
Dublin program is supported by the HEA under a cycle III
PRTLI award | en |
| dc.format.extent | 157403 | en |
| dc.format.extent | 157403 | en |
| dc.language.iso | en | en |
| dc.relation.ispartofseries | Physical Review Letters; | |
| dc.relation.ispartofseries | 96; | |
| dc.relation.ispartofseries | 15; | |
| dc.rights | Y | en |
| dc.subject | density functional theory | en |
| dc.subject.lcsh | density functional theory | en |
| dc.title | Electronic origins of structural distortions in post-transition metal oxides: Experimental and theoretical evidence for a revision of the lone pair model | en |
| dc.type | Journal Article | en |
| dc.type.supercollection | scholarly_publications | en |
| dc.type.supercollection | refereed_publications | en |
| dc.identifier.peoplefinderurl | http://people.tcd.ie/watsong | |
| dc.identifier.rssinternalid | 45570 | |
| dc.identifier.uri | http://hdl.handle.net/2262/66731 | |
