Abstract

A series of isovalent Nb-substituted Ta1−xNbxTe2 () single crystals, which crystallizes in a monoclinically distorted CdI2-type structure with the space group, were grown by the chemical-vapor-transport (CVT) method. For TaTe2 (), a first-order transition at is observed by heat capacity measurement, accompanying with an anomaly in electrical resistivity , Hall resistivity , and especially, the sign change of thermoelectric power , implying the multi-band transport. This transition can be gradually suppressed by isovalent Nb substitution and disappears as , and correspondingly, an enhancement of electronic density of states (DOS) near the Fermi level is obtained. In addition, the local Ta-Te/Ta-Ta bonding instability may play an important role for the structural phase transition of TaTe2.

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