TY - JOUR
T1 - Experimental and theoretical study of the electronic structure of AuAl2, AuGa2, and AuIn2
AU - Hsu, Li Shing
AU - Wang, Y. K.
AU - Tai, Y. L.
AU - Lee, J. F.
PY - 2005/9/15
Y1 - 2005/9/15
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.72.115115
DO - 10.1103/PhysRevB.72.115115
M3 - Article
AN - SCOPUS:29744445091
SN - 1098-0121
VL - 72
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 11
M1 - 115115
ER -