Hossain, Khandaker Monower; Mitro, Sujon Kumar; Moon, … - 2022
This work employs density functional theory to calculate the structural, mechanical, elastic anisotropy, thermal, electronic, and optical properties of Ce 1-x Hf x O 2 (x = 0, 0.25, 0.5, and 0.75) to explore the heavy substitutional doping effects of Hf. The cubic phase of CeO 2 is transformed...