Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.A few thallium based layered chalcogenides of α-NaFeO2 structure-type are known for their excellent thermoelectric properties and interesting topological insulator nature.  In the present work, we have studied the electronic structure, electrical and thermal transport properties and thermal stability of the title compounds within the temperature range 2-600 K. Density functional theory (DFT) predicts a metallic nature for TlScTe2 and a semiconducting nature for TlScSe2.  The thermoelectric properties for both the materials were also investigated.  Both these materials possess very low thermal conductivity which is an attractive feature for thermoelectrics.  However, they lack thermal stability and decompose upon warming above room temperature, as evidenced from high temperature powder X-ray diffraction and thermal analysis.
THERM
Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.A few thallium based layered chalcogenides of α-NaFeO2 structure-type are known for their excellent thermoelectric properties and interesting topological insulator nature.  In the present work, we have studied the electronic structure, electrical and thermal transport properties and thermal stability of the title compounds within the temperature range 2-600 K. Density functional theory (DFT) predicts a metallic nature for TlScTe2 and a semiconducting nature for TlScSe2.  The thermoelectric properties for both the materials were also investigated.  Both these materials possess very low thermal conductivity which is an attractive feature for thermoelectrics.  However, they lack thermal stability and decompose upon warming above room temperature, as evidenced from high temperature powder X-ray diffraction and thermal analysis.
THERM
Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.A few thallium based layered chalcogenides of α-NaFeO2 structure-type are known for their excellent thermoelectric properties and interesting topological insulator nature.  In the present work, we have studied the electronic structure, electrical and thermal transport properties and thermal stability of the title compounds within the temperature range 2-600 K. Density functional theory (DFT) predicts a metallic nature for TlScTe2 and a semiconducting nature for TlScSe2.  The thermoelectric properties for both the materials were also investigated.  Both these materials possess very low thermal conductivity which is an attractive feature for thermoelectrics.  However, they lack thermal stability and decompose upon warming above room temperature, as evidenced from high temperature powder X-ray diffraction and thermal analysis.
THERM