In this study, Zintl phased tetrapotassium diarsenidozincate K4ZnAs2 semiconductor compound was analysed using ab initio methods for structural, electronic, mechanical, elastic, and optical properties using six exchange ...

A novel Cs2ScAgI6 double perovskite semiconductor material has been investigated on electronic, mechanical, elastic and optical properties using the plane wave self-consistent field method by using generalised gradient ...

Efficient materials with good optoelectronic properties are required for the good performance of photovoltaic devices. In this work, we present findings of a theoretical investigation of the structural, electronic, elastic, ...

This study investigates the utility of using remote sensing and geographic information system techniques to accurately infer the presence of radioactive minerals in a typical high background radiation area (HBRA) by analyzing ...

First-principles calculations of the structural, electronic, elastic, mechanical, and optical properties of the K2NiP2 ternary compound using density functional theory as implemented in the quantum espresso package have ...

In this work, the structural, electronic, elastic, and optical properties of X3Sb2Au3 (X = K, Rb) ternary compounds have been investigated using the density-functional theory method as implemented in the quantum espresso ...

TiO2, a semiconducting material with a wide energy band gap, has been researched intensively due to its interesting properties and many potential applications. The films properties can as well be modified by preparing the ...