Quantum critical behaviour in doped Y bB12 studied by ab initio calculations |
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Authors: | Jerzy Goraus Andrzej ?lebarski |
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Affiliation: | Institute of Physics, University of Silesia, 40-007 Katowice, Poland |
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Abstract: | The Kondo insulator Y bB12 is known to undergo a transition to the metallic state with doping or under an external magnetic field. Within the virtual crystal approximation (VCA), we calculated the occupation of the Yb 4f and 5d shells, and , as a function of doping of Y bB12 with the rare earths Tm and Lu. We found that exhibits an anomalous change at the critical concentration of the dopant, in agreement with experiment ( for Y b1−xLuxB12 and for Y b1−xTmxB12). We suggest that the critical behaviour seems to be strictly connected with the change of and in consequence the change of the Yb valency. |
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Keywords: | A. Kondo insulators D. Valency fluctuations D. Phase transitions E. Ab initio calculations |
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