The structural electronic, elastic, mechanical and optical properties of the ternary compounds K4ZnP2 and K4CdP2 have been studied by means of density functional theory (DFT) using the plane waves method. The generalized ...

Ternary semiconductor materials are attractive compounds for optoelectronic and photovoltaic applications due to their valuable properties. A key challenge in photovoltaics is to develop alternative materials with good ...

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, ...

A Zintl-phased K3Ag3As2 ternary compound previously not studied using ab initio techniques was analysed for its structural, electronic, mechanical, elastic, and optical properties using LDA-PZ, GGA-EV, GGA-PBE, GGA-PBESol, ...