Electronic structure and small polaron hole transport of copper aluminate - art. no. 155114

High-temperature electrical property measurements (electrical conductivity, thermoelectric coefficient) on polycrystalline CuAlO2 exhibited characteri stic small polaron features, i.e., low mobilities (0.1-0.4 cm(2)/V s) and a n activation energy of similar to0.14 eV. The thermopower was p type (simil ar to 440 muV/K) and roughly temperature independent. The local-density ful l-potential linearized augmented-plane-wave method was used to calculate th e band structure, densities of states, and optical properties (within the e lectric-dipole approximation) in order to account for the unique electronic and optical properties of this potential transparent conducting oxide.