High-pressure phases of Sn are investigated with use of the first-principles pseudopotential total-energy method. The T=0 calculations accurately reproduce the structural parameters of the low-pressure modifications {α}-Sn and {β}-Sn and predict a transition to either bcc or bct at high pressure. The calculated compression ratio of the body-centered phase at high pressure also agrees well with experiment.
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Corkill et al. (1991) studied this question.
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