Elastic and electronic properties of fluorite RuO_2 from first principle
Elastic and electronic properties of fluorite RuO_2 from first principle
The elastic, thermodynamic, and electronic properties of fluorite RuO 2 under high pressure are investigated by plane-wave pseudopotential density functional theory.The optimized lattice parameters, elastic constants, bulk modulus, and shear modulus are consistent with other theoretical values.The phase transition from modified fluorite-type to fluorite is 88 GPa (by localized density …