Influence of Ternary and Quaternary Inclusion on Bandgap Tuning of CaTe: Prediction of Potential Thermoelectric Materials

Lifting the Optical and Thermoelectric Properties of Mg2Si as a Function of Sn Incorporation—Potential Thermoelectric Materials

“…The dispersive/absorptive behavior of the material relates to real ε 1 (ω)/imaginary ε 2 (ω) part of the dielectric function. 47 The imaginary part of dielectric function is related to electronic band structure, where the transition from VB to CB. The complex dielectric function components are used to calculate the other optical properties ∝(ω) L(ω), n(ω), R(ω) and k(ω).…”

“…The bands nearer to Fermi level are very important for determining the transport properties. By implementing BoltzTrap code, 47 the transport properties namely Seebeck coefficient (S), electrical conductivity and power factor with variation of temperature (100 K to 800 K) has been studied for Mg 2 Si 1−x Sn x (x = 0, 0.125, 0.25, 0.5, 0.75, 0.875, 1) materials and are presented in Figs. 7a-7c.…”

Alkaline-Earth Chalcogenide Nanocrystals: Solution-Phase Synthesis, Surface Chemistry, and Stability

“…The alkaline-earth tellurides belong to an even less developed area of chalcogenide chemistry, and they show great potential for exhibiting optical properties for both solarabsorbing and thermoelectric applications. 8,71 The synthesis methods developed in this study may also be applicable to preparing different IIa−VIa phases with uncommon oxidation states, such as Ba 3 Se 2 or Ba 2 Se, which are predicted to be stable under pressure and possess different electronic properties. 72 Computational work predicts many of the alkaline-earth monoselenides to be favorable materials for thermoelectrics, 9,66 with some compositions even considered to be favorable for NO 2 sensors.…”