Hydration modifies secondary building units in Na2ZrSi2O7 frameworks, leading to higher phase stability, lower bulk modulus, distinct deformation paths, and retention of direct band gap under compression.
Structure, elasticity and stability of reidite (ZrSiO4) under hydrostatic pressure: A density functional study
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High-Pressure Structural Evolution of Na2ZrSi2O7 and Na2ZrSi2O7.H2O: Topology-Driven Compression Behaviors, Phase Stability, and Electronic Transitions
Hydration modifies secondary building units in Na2ZrSi2O7 frameworks, leading to higher phase stability, lower bulk modulus, distinct deformation paths, and retention of direct band gap under compression.