S.L. Qiu, Hong Ma, et al.
Physical Review B - CMMP
Paper
Instability in the Imma phase of Si
Abstract
The Imma phase of Si is found by first-principles calculations to have unstable states at the two ends of its structural range. These instabilities force first-order transitions to both the/3-Sn and the simple hexagonal phase. These transitions occur for the non-vibrating crystal at 96 and 110kbar, respectively. Two special computational procedures are described that have been developed to find the instabilities. Copyright © EPLA, 2010.
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