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|Title:||Pressure-induced amorphization of β-cristobalite|
|Authors:||Zhang, X. |
|Citation:||Zhang, X., Ong, C.K. (1993). Pressure-induced amorphization of β-cristobalite. Physical Review B 48 (10) : 6865-6870. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.48.6865|
|Abstract:||A constant-pressure molecular-dynamics (MD) study using a three-body potential is employed to study the pressure-induced structural change in β-cristobalite in the pressure range of 0-23 GPa. Our MD results demonstrate that β-cristobalite gradually transforms from a crystalline phase to an amorphous phase in the range 11-15 GPa, and abruptly changes to a sixfold-coordinated amorphous silicon structure at 13.5 GPa. Upon release of pressure, the material does not transform back into β-cristobalite but remains in the amorphous phase with a silicon coordination of nearly six. The behavior of the pressure amorphization of β-cristobalite is found to be similar to that of pressure amorphization of α-quartz. This similarity implies that they may have a similar order-disorder transition mechanism. © 1993 The American Physical Society.|
|Source Title:||Physical Review B|
|Appears in Collections:||Staff Publications|
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