In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 44, No. 6R ( 2005-06-01), p. 4057-
Abstract:
The first-principles band structure calculations are carried out to interpret the spectral fine structure of the near-edge X-ray absorption fine structure (NEXAFS) spectrum of PdO at the O K-edge by the full-potential augmented plane wave plus local orbitals (APW+lo) method. The observed NEXAFS fine structure of PdO is quantitatively reproduced by our calculations. Three types of PdO polymorph are examined, which show a significant difference in theoretical NEXAFS profile. They can be used as theoretical finger prints for future studies.
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
DOI:
10.1143/JJAP.44.4057
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2005
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7
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