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A comparative study of the electronic structures of SrCu(2)O(2) and PbCu(2)O(2) by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy

Abstract:

The electronic structures of SrCu2O2 and PbCu 2O2 have been studied by density functional theory calculations in conjunction with high resolution X-ray photoemission spectroscopy (XPS) and electron paramagnetic resonance spectroscopy (EPR). In both materials there is linear O-Cu-O coordination and a band of Cu 3d states sits above a band of O 2p states, but with strong hybridisation between the two. The Pb ions in PbCu2O2 introduce new states of dominant Pb 6s atomic character below the botto...

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Publication status:
Published

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Publisher copy:
10.1039/b719364e

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Journal:
JOURNAL OF MATERIALS CHEMISTRY More from this journal
Volume:
18
Issue:
24
Pages:
2798-2806
Publication date:
2008-01-01
DOI:
EISSN:
1364-5501
ISSN:
0959-9428
Language:
English
Pubs id:
pubs:40760
UUID:
uuid:fb6f5083-2052-406a-b806-74a620444d50
Local pid:
pubs:40760
Source identifiers:
40760
Deposit date:
2012-12-19

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