Abstract
We discuss and determine the conditions under which a Kondo-insulator phase is stable. We show for CeRhSb that the dependence of the onsite hybridization energy V d f between the Ce 5 d and Ce 4 f states on the number of valence electrons or the unit cell volume is decisive for the hybridization Kondo gap formation. We also propose the method for determining the energy V d f from the ab initio calculations. This approach supplies an accurate Kondo-insulator–metal transition in agreement with the recent experimental data.
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