Pressure-Driven Responses in Cd<sub>2</sub>SiO<sub>4</sub> and Hg<sub>2</sub>GeO<sub>4</sub> Minerals: A Comparative Study
Jaspreet Singh,
Venkatakrishnan Kanchana,
Daniel Errandonea
et al.
Abstract:The structural, elastic, and electronic properties of orthorhombic Cd2SiO4 and Hg2GeO4 were examined under varying pressure conditions using first-principles calculations based on densi-ty-functional theory employing the projector augmented wave method. The obtained cell pa-rameters at 0 GPa were found to align well with existing experimental data. We delved into the pressure-dependence of normalized lattice parameters and elastic constants. In Cd2SiO4, all lat-tice constants decreased as pressure increased, w… Show more
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