Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
The electronic structures of α-PbO and β-PbO2 have been investigated by X-ray photoemission, X-ray absorption and X-ray emission spectroscopies, supported by bandstructure calculations performed within the framework of density functional theory. The relative intensity of a peak found at the bottom o...
| Main Authors: | , , , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2007
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| _version_ | 1826261990547390464 |
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| author | Payne, D Egdell, R Law, D Glans, P Learmonth, T Smith, K Guo, J Walsh, A Watson, G |
| author_facet | Payne, D Egdell, R Law, D Glans, P Learmonth, T Smith, K Guo, J Walsh, A Watson, G |
| author_sort | Payne, D |
| collection | OXFORD |
| description | The electronic structures of α-PbO and β-PbO2 have been investigated by X-ray photoemission, X-ray absorption and X-ray emission spectroscopies, supported by bandstructure calculations performed within the framework of density functional theory. The relative intensity of a peak found at the bottom of the valence band for both oxides changes dramatically between Al Kα X-ray photoemission and O K shell X-ray emission spectra, demonstrating that the states associated with this peak possess dominant Pb 6s character. This finding is in accord with partial densities of states derived from bandstructure calculations but is at variance with the conventional view that the Pb 6s states in PbO are close to the Fermi energy and hybridise with empty 6p states to give a metal based directional 6s-6p lone pair. The photoemission onset of β-PbO2 contains a well-defined metallic Fermi edge. The position of the onset structure suggests that the metallic nature of PbO2 arises from occupation of conduction band states above the main valence band, probably arising from oxygen vacancy defects. The conduction electrons of β-PbO2 are strongly perturbed by ionisation of Pb core levels, giving rise to distinctive satellites in core XPS whose energies correspond to those of the conduction electron plasmon. © The Royal Society of Chemistry 2007. |
| first_indexed | 2024-03-06T19:29:17Z |
| format | Journal article |
| id | oxford-uuid:1ce3a53b-493c-4932-9ec1-156efc72fc9d |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T19:29:17Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:1ce3a53b-493c-4932-9ec1-156efc72fc9d2022-03-26T11:08:00ZExperimental and theoretical study of the electronic structures of α-PbO and β-PbO2 Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:1ce3a53b-493c-4932-9ec1-156efc72fc9dEnglishSymplectic Elements at Oxford2007Payne, DEgdell, RLaw, DGlans, PLearmonth, TSmith, KGuo, JWalsh, AWatson, GThe electronic structures of α-PbO and β-PbO2 have been investigated by X-ray photoemission, X-ray absorption and X-ray emission spectroscopies, supported by bandstructure calculations performed within the framework of density functional theory. The relative intensity of a peak found at the bottom of the valence band for both oxides changes dramatically between Al Kα X-ray photoemission and O K shell X-ray emission spectra, demonstrating that the states associated with this peak possess dominant Pb 6s character. This finding is in accord with partial densities of states derived from bandstructure calculations but is at variance with the conventional view that the Pb 6s states in PbO are close to the Fermi energy and hybridise with empty 6p states to give a metal based directional 6s-6p lone pair. The photoemission onset of β-PbO2 contains a well-defined metallic Fermi edge. The position of the onset structure suggests that the metallic nature of PbO2 arises from occupation of conduction band states above the main valence band, probably arising from oxygen vacancy defects. The conduction electrons of β-PbO2 are strongly perturbed by ionisation of Pb core levels, giving rise to distinctive satellites in core XPS whose energies correspond to those of the conduction electron plasmon. © The Royal Society of Chemistry 2007. |
| spellingShingle | Payne, D Egdell, R Law, D Glans, P Learmonth, T Smith, K Guo, J Walsh, A Watson, G Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2 |
| title | Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
|
| title_full | Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
|
| title_fullStr | Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
|
| title_full_unstemmed | Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
|
| title_short | Experimental and theoretical study of the electronic structures of α-PbO and β-PbO2
|
| title_sort | experimental and theoretical study of the electronic structures of α pbo and β pbo2 |
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