Effect of Eu2+ and Tb2+ doping on structural, photoluminescence, thermodynamic and thermoelectric properties of celestine (SrSO4) phosphors

Influence of Gd-Doping Concentration on Structural, Electronic, Magnetic and Optical Properties of Multiferroic Material (PFeO3): A Density Functional Theory-Based Investigation

“…The WIEN2K [26] package is used to implement the first-principles calculations for novel multiferroic perovskite materials P1-xGdxFeO3 (X= 10%, 20%, 30%) using the full potential linearized augmented plane wave (FP-LAPW) technique [27,28]. The Kohn-Sham equations can be solved efficiently and precisely within the framework of DFT [29] using this approach and the ground state properties of compounds can also be simulated.…”

Structural, Thermoelectric, Electronic, and Magnetic Properties of Pristine Intermetallic Rare-Earth-Based XMn2Si2 (X=Dy, Er) Compounds

“…8, the rare-Earth based XMn 2 Si 2 compound's ZT curves begin at their minimum values, which is thought to be the lower values at around 50 K. When a temperature is raised further, the ZT curves for DyMn 2 Si 2 /ErMn 2 Si 2 are gradually/dramatically increased till 400 K. Further onward, in the high temperature range, both the spectra increase linearly with temperature and reach their maximum value at 800 K. The similar behaviour of ZT with Seebeck coefficient were observed in few other studies for the same and different class of the materials. 4,14,16,63,64 Furthermore, Er-based compounds have a high ZT value in magnitude at 800 K, which means the material response in a high temperature range is significant as compared to DyMn 2 Si 2 . The ErMn 2 Si 2 is a viable contender for high-temperature applications in waste heat management because of its high ZT values in the hightemperature region in thermoelectric devices.…”