Open access
Sep 2026
Pressure-induced modulation of structural, mechanical, electronic, optical, and thermodynamic properties of KZn4As3 and CsCd4As3 zintl compounds: implications for thermal and optoelectronic applications
In this work, using DFT, we systematically investigate the structural, dynamic, elastic, thermodynamic, electronic, and optical properties of ternary arsenide Zintl phases KZn4As3 and CsCd4As3 under hydrostatic pressures of 0–15 GPa. The optimized lattice parameters at ambient pressure agree closely with the available...
Md.Rony Hossain, Abdullah Al Sakib, A. Paul et al.
· RSC Advances · 0 citations