In this paper,we report the effect of temperature and carrier concentrations on the structural,electronic and thermoelectric(TE) properties of TAlO2(T=Cu,Ag and Au) compounds in the bulk and nano-layer structures usin...In this paper,we report the effect of temperature and carrier concentrations on the structural,electronic and thermoelectric(TE) properties of TAlO2(T=Cu,Ag and Au) compounds in the bulk and nano-layer structures using full potential-linearized augmented plane wave(FPLAPW) method combined with Boltzmann transport theory.The results show that the TE properties are controlled by the temperature and carrier concentrations.P-type doping of TAlO2(T=Cu,Ag and Au) compounds has better TE figure of merit(ZT) than n-type doping.High ZT of 0.984 is achieved for the bulk structure of the AgAlO2 compound,while it is about 1.234 for the nano-layer structure.Hence,among these compounds,the nano-layer of AgAlO2 is a good candidate for TE applications.展开更多
文摘In this paper,we report the effect of temperature and carrier concentrations on the structural,electronic and thermoelectric(TE) properties of TAlO2(T=Cu,Ag and Au) compounds in the bulk and nano-layer structures using full potential-linearized augmented plane wave(FPLAPW) method combined with Boltzmann transport theory.The results show that the TE properties are controlled by the temperature and carrier concentrations.P-type doping of TAlO2(T=Cu,Ag and Au) compounds has better TE figure of merit(ZT) than n-type doping.High ZT of 0.984 is achieved for the bulk structure of the AgAlO2 compound,while it is about 1.234 for the nano-layer structure.Hence,among these compounds,the nano-layer of AgAlO2 is a good candidate for TE applications.
