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We applied the Perdew-Burke-Ernzerhof hybrid functional (PBE0) within the density functional theory (DFT) to study electronic properties of the heavy fermion Kondo semiconductor SmB_{6}. The calculation of the Hartee-Fock exchange contribution to the exact-exchange within the atomic sphere approximation for bulk SmB_{6} represents a computationally efficient, parameter-free method that provides good...
The electronic structure of the ternary RPtIn (R = La, Ce) compounds, which crystallize in the hexagonal ZrNiAl-type structure, was studied by X-ray photoelectron spectroscopy measurements and calculation using the ab initio methods (linear muffin-tin orbital in the atomic sphere approximation, full potential linear muffin-tin orbital, full potential linear orbital). The results showed that the valence...
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