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Author Topic: amorphous porous Silicon  (Read 2698 times)

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Offline marmotte

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amorphous porous Silicon
« on: October 9, 2012, 23:08 »
Dear all,

Is it possible to construct a unit cell of an amorphous porous Silicon using ATK ?

I will appreciate suuggestions/help

Best regards,

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Offline zh

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Re: amorphous porous Silicon
« Reply #1 on: October 10, 2012, 01:05 »
It is impossible to construct an amorphous porous silicon simply using the "Builder" tool, because such system does not have periodic condition and  well-defined structure. A feasible way is to run a melting-quench procedure of molecular dynamics.
« Last Edit: October 10, 2012, 02:17 by zh »
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