Transition pressures and enthalpy barriers for the cubic diamond-->beta-tin transition in Si and Ge under nonhydrostatic conditions

DOI zum Zitieren dieses Dokuments:: 10.5283/epub.1822

Gaál-Nagy, Katalin ; Strauch, Dieter

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Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:33

Alternative Links zum Volltext:Arxiv DOI Verlag

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Zusammenfassung

We present an ab initio study of the phase transition cubic diamond-->beta-tin in Si and Ge under hydrostatic and nonhydrostatic pressure. For this purpose we have developed a method to calculate the influence of nonhydrostatic pressure components not only on the transition pressure but also on the enthalpy barriers between the phases. The calculations were performed using the plane-wave ...