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Valence band structure of the icosahedral Ag-In-Yb quasicrystal

Valence band structure of the icosahedral Ag-In-Yb quasicrystal,10.1103/PhysRevB.81.104205,Physical Review B,H. R. Sharma,G. Simutis,V. R. Dhanak,P. J

Valence band structure of the icosahedral Ag-In-Yb quasicrystal  
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The valence band structure of the icosahedral (i) Ag-In-Yb quasicrystal, which is isostructural to the binary i-Cd-Yb system, is investigated by ultraviolet photoemission spectroscopy (UPS). Experimental results are compared with electronic-structure calculations of a cubic approximant of the same phase. UPS spectra from the fivefold, threefold, and twofold i-Ag-In-Yb surfaces reveal that the valence band near to the Fermi level is dominated by Yb4f -derived states, in agreement with calculations. The spectra also exhibit peaks which are surface core level shifted, caused by changes in the electronic structure in surface layers. Calculations yield a pseudogap in the density of states due to a hybridization of the Yb5d band with the Ag5p and In5p bands. Both experimental and calculated band features are very similar to those of Cd-Yb. The modification of the band structure after surface treatment by sputtering and by oxidation is also studied. Additionally, the work function of i-Ag-In-Yb measured from the width of UPS spectrum is found to be almost unaffected by surface orientation, but increases after sputtering or oxidation.
Journal: Physical Review B - PHYS REV B , vol. 81, no. 10, 2010
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