Ground-State Structures of Ice at High-Pressures

Kavli Affiliate: Jeffrey McMahon | First 5 Authors: Jeffrey M. McMahon, , , , | Summary: textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three novel crystal phases. The underlying […]


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