Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model
Structural distortions in post-transition metal oxides are often explained in terms of the influence of s p hybrid "lone pairs". Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted α-PbO and α-Bi2O3 have been measured by...
| Main Authors: | , , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Physical Society
2006
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| Subjects: |
| _version_ | 1826299830342778880 |
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| author | Payne, D Egdell, R Walsh, A Watson, G Guo, J Glans, P Learmonth, T Smith, K |
| author_facet | Payne, D Egdell, R Walsh, A Watson, G Guo, J Glans, P Learmonth, T Smith, K |
| author_sort | Payne, D |
| collection | OXFORD |
| description | Structural distortions in post-transition metal oxides are often explained in terms of the influence of s p hybrid "lone pairs". Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted α-PbO and α-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. |
| first_indexed | 2024-03-07T05:07:55Z |
| format | Journal article |
| id | oxford-uuid:da90e4c7-566c-4a37-bab0-cd00b17043ff |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:07:55Z |
| publishDate | 2006 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | oxford-uuid:da90e4c7-566c-4a37-bab0-cd00b17043ff2022-03-27T09:04:06ZElectronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair modelJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:da90e4c7-566c-4a37-bab0-cd00b17043ffInorganic chemistryChemistry & allied sciencesPhysicsEnglishOxford University Research Archive - ValetAmerican Physical Society2006Payne, DEgdell, RWalsh, AWatson, GGuo, JGlans, PLearmonth, TSmith, KStructural distortions in post-transition metal oxides are often explained in terms of the influence of s p hybrid "lone pairs". Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted α-PbO and α-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. |
| spellingShingle | Inorganic chemistry Chemistry & allied sciences Physics Payne, D Egdell, R Walsh, A Watson, G Guo, J Glans, P Learmonth, T Smith, K Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title | Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title_full | Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title_fullStr | Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title_full_unstemmed | Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title_short | Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model |
| title_sort | electronic origins of structural distortions in post transition metal oxides experimental and theoretical evidence for a revision of the lone pair model |
| topic | Inorganic chemistry Chemistry & allied sciences Physics |
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