Pressure-induced isostructural phase transition of metal-doped silicon clathrates

Details Pressure-induced isostructural phase transition of metal-doped silicon clathrates Pressure-induced isostructural phase transition of metal-doped silicon clathrates

2006-11-11

arxiv.org/abs/cond-mat/0611299v1

Phys. Rev. B 75, 012106 (2007)

Physics

Condensed Matter

Materials Science

5 pages, two coumn, 5 figures. See http://www.iitaka.org/down.html for more information

Scientific paper

10.1103/PhysRevB.75.012106

We propose an atomistic model for the pressure-induced isostructural phase transition of metal-doped silicon clathrates, Ba8Si46 and K8Si46, that has been observed at 14 GPa and 23 GPa, respectively. The model explains successfully the equation of state, transition pressure, change of Raman spectra and dependence on the doped cations as well as the effects of substituting Si(6c) atoms with noble metals.

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