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The optical conductivities of single crystals of LuAl 2 and YbAl 2 were measured by spectroscopic ellipsometry in the energy range of 1.4 – 5.5 eV for LuAl 2 and 1.4 – 5.2 eV for YbAl 2 . The optical conductivity spectra of LuAl 2 and YbAl 2 show similar features except for a difference in magnitude. Both have peaks near 1.8 – 2.1 eV and broad shoulders between 3.0 and 4.0 eV . The shoulder is weaker in YbAl 2 . The band structure, density of states, and optical conductivity were calculated with the tight-binding linear muffin-tin orbital method in the atomic sphere approximation. The calculated optical conductivity with the inclusion of energy-dependent broadening agrees well with the experimental data. Oxidation effects on the surface of the sample were modeled using a three-phase model. The calculated optical conductivity of the clean surface is enhanced over that of the oxidized surface.
Physical Review B – American Physical Society (APS)
Published: Apr 15, 2000
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