The Seebeck coe!cient, thermoelectric power factor, electrical conductivity, and
electronic thermal conductivity of the orthorhombic P bnm phase of SrRuO3 are studied
comprehensively by combining first-principles density functional calculations and
Boltzmann transport theory. The influence of exchange-correlation functional on the
Seebeck coe!cient is carefully investigated. We show that the best agreement with
experimental data is achieved when SrRuO3 is described as being at the limit of a
half-metal. Furthermore, we analyse the role of individual symmetry-adapted atomic
distortions on the Seebeck coe!cient, highlighting a particularly strong sensitivity to
R+
4 oxygen rotational motions, which may shed light on how to manipulate the Seebeck
coe!cient. We confirm that the power factor of SrRuO3 can only be slightly
improved by carrier doping. Our results provide a complete understanding of the thermoelectric
properties of SrRuO3 and an interesting insight on the relationship between
exchange-correlation functionals, atomic motions, and thermoelectric quantities.