Study of pnictides for photovoltaic applications

Abstract

For the transition into a sustainable mode of energy usage, it is important to develop photovoltaic materials that exhibit better solar-to-electricity conversion efficiencies, a direct optimal band gap, and made...

Computational study on structural, elastic, mechanical and optical properties of K2AgAs ternary semiconductor compound

“…4,5 However, by altering the chemical makeup of these nanostructures and nanocomposites, we can tweak their inherent qualities, create new features, and thereby increase the material's efficiency or open up new application areas. 4 Different elemental combinations forming binary, ternary, and even quaternary compounds have been investigated in the past; [6][7][8][9][10] nonetheless, ternary compounds with A 2 BX configurations have created a niche of interest among researchers since the last few decades. [11][12][13] Maabed et al 14 studied the ternary K 2 CuP and K 2 AgP by exploring the physical properties of polar intermetallic phases of the materials, where during their study the structural electronic, and optical properties were investigated revealing that the material has indirect bandgap, possess covalent Cu-P, Ag-P bonding as well as wide ranging photon energy absorption in the ultraviolet.…”

“…To the best of our knowledge, this material has only been synthesized experimentally 18 where its structure was predicted, but there exists no theoretical investigation about it, and therefore this forms the basis of our motivation as well as its potential for application in the optoelectronic sectors. 7,9 Similar ternary compounds, which have been synthesized and analyzed experimentally, include Na 2 CuP, K 2 AgBi, and K 2 AgSb. 18…”