First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2
This study employs density functional theory to comprehensively investigate the pressure-dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the intermetallic Kagome compound ZrRe2, revealing its stability up to 25 GPa, the pressure-induced vanishing of topological features, a potential charge density wave phase, and a decrease in superconducting transition temperature due to weakened electron-phonon coupling.
Mst. Irin Naher, A. F. M. Yusuf Haider, Dholon Kumar Paul, Md Lutfor Rahman, Firoze H. Haque, Saleh Hasan Naqib2026-03-18🔬 cond-mat.mtrl-sci