Three newly designed pyrochlore oxides, Eu2Tm2O7 (Tm= Hf, Sn, Zr), are analyzed for their magnetic, optical and electronic properties using ab-initio calculations within the context of …
Cu-based chalcogenide materials have attracted a great deal of attention due to their promising optoelectronic properties. The density functional theory (DFT) framework is used …
A first-principles calculation based on DFT investigations on the structural, optoelectronic, and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
Over the last few decades, despite significant advancements in oxide-based ReRAM (resistive random-access memory) devices, science and technology have faced many …
High-hardness materials with ductile deformation behavior have recently piqued interest due to their prospective applications, particularly as hard and protective coatings. The crack …
The first-principles based DFT calculations were used to investigate the effect of transition metal (TM) doping on structural, electronic, optical and thermoelectric properties of Sn 1-x A …
One of the primary objectives of scientific research is to create state-of-the-art multiferroic (MF) materials that exhibit interconnected properties, such as piezoelectricity …
The present study employed first-principles DFT (density functional theory) computations to investigate the impact of alkaline metal substitutions on the structural, optoelectronic …
Electrostatic capacitors are widely investigated to fulfill the energy storage demand and their utilization in microelectronic devices. The efficient energy storage capabilities of pyrochlores …