Erratum: 'Band structures and thermoelectric properties of the clathrates Ba_8Ga_(16)Ge_(30), Sr_8Ga_(16)Ge_(30), Ba_8Ga_(16)Si_(30), and Ba_8In_(16)Sn_(30)' [J. Chem. Phys. 115, 8060 (2001)]

摘要

Recent work on other thermoelectric systems have helped us to find an error in the algorithm responsible for the calculation of the Seebeck coefficient. All Seebeck coefficients reported in the paper are in error by a factor of -1. Thus in Fig. 7 of page 8065 and Fig. 12 on page 8068 the abscissa should properly read -S and not S. The purpose of this paper was to evaluate the potential use of these materials as thermoelectric devices through evaluation of the figure-of-merit ZT = S~2#sigma#T/#kappa#. Thus, this error does not alter the important conclusions of this paper. However, in interpreting whether experimental materials are either p- or n-doped, the sign of S does matter. For p-doped materials S>0 while for n-doped materials S<0, and not the other way around.