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Phonons in the beta-tin, Imma, and sh phases of Silicon
from ab initio calculations

Gaál-Nagy, Katalin ; Strauch, Dieter
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Date of publication of this fulltext: 05 Aug 2009 13:33


Abstract

We study the lattice statics and dynamics of Si near the beta-tin -> Imma -> sh phase transitions. The pressure at and the order of the phase transitions can be determined precisely from the dynamical rather than the static properties. We also present an interpretation of measured Raman frequencies of a high-pressure structure of silicon correcting a previous assignment to the beta-tin phase, ...

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