The binding energies of the Au 5d bands at the Γ point for AuAl2, AuGa2, and AuIn2 calculated from the first-principles theory agree with those obtained from the angle-integrated or angle-resolved photoemission spectroscopic study to within 10%. X-ray absorption near-edge spectroscopy (XANES) spectra of these three compounds are presented and compared with theoretical XANES spectra and site- and momentum-decomposed partial density of states. Extended x-ray absorption fine structure spectra of AuAl2, AuGa2, and AuIn2 are also analyzed to yield the bonding parameters.
|期刊||Physical Review B - Condensed Matter and Materials Physics|
|出版狀態||已發佈 - 2005 9月 15|
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