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Quantum critical transition from Kondo insulator to metallic state studied by band‐structure calculations for doped compounds: CeRhSb and CeNiSn
Author(s) -
Goraus Jerzy,
Ślebarski Andrzej
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201200615
Subject(s) - kondo insulator , dopant , condensed matter physics , doping , kondo effect , materials science , ab initio quantum chemistry methods , ab initio , metal–insulator transition , electron , metal , physics , quantum mechanics , metallurgy , molecule
We present the ab initio calculations of the on‐site hybridization between Ce 4f and Ce 5d electrons as well as the Mulliken Ce 5d occupation for the doped Kondo insulators CeRhSb and CeNiSn. In our investigations we have examined the following series: CeRhSb 1 − x Sn x , CeRh 1 − x Pd x Sb, CeRhSb 1 − x Te x , Ce 1 − x La x RhSb and CeNi 1 − x Cu x Sn, CeNiSn 1 − x Sb x Sb, Ce 1 − x La x NiSn. The transition from the Kondo insulator to the metallic state induced by doping at some critical concentration x c was recently reported for various dopants based on the resistivity, susceptibility and spectroscopic data. Our calculations show that both the Mulliken occupation of Ce 5d states and the onsite hybridization between Ce 4f and Ce 5d states exhibit critical behavior at nearly the same dopant concentrations as observed in experiment. We also note that for the CeRhSb‐based alloys the disorder is not necessary to explain their critical behavior, in contrast to the CeNiSn‐based series.