Shanavas, K. V. ; Pandey, K. K. ; Garg, Nandini ; Sharma, Surinder M. (2012) Computer simulations of crystallization kinetics in amorphous silicon under pressure Journal of Applied Physics, 111 (6). 063509-1-063509-7. ISSN 0021-8979
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Official URL: http://jap.aip.org/resource/1/japiau/v111/i6/p0635...
Related URL: http://dx.doi.org/10.1063/1.3694735
Abstract
With the help of computer simulations we have studied the crystallization kinetics of amorphous silicon in solid phase epitaxial (SPE) and random nucleation growth processes. Our simulations employing classical molecular dynamics and first principles methods suggest qualitatively similar behavior in both processes. Pressure is found to reduce the difference in molar volumes and coordination numbers between the amorphous and crystalline phases, which in turn lowers the energy barrier of crystallization. The activation energy for the SPE growth of four coordinated diamond phase is found to reach a minimum (a maximum in growth rates) close to 10 GPa when its density becomes equal to that of the amorphous phase. The crystallization temperatures of successive high pressure phases of silicon are found to decrease, offering a possible explanation for the pressure induced crystallization reported in this material.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Institute of Physics. |
ID Code: | 96533 |
Deposited On: | 24 Dec 2012 11:43 |
Last Modified: | 24 Dec 2012 11:43 |
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