« previous next »
Pages: [1]   Go Down

Author Topic: amorphous porous Silicon  (Read 2499 times)

0 Members and 1 Guest are viewing this topic.

Offline marmotte

  • Heavy QuantumATK user
  • ***
  • Posts: 63
  • Country: sa
  • Reputation: 0
    • View Profile
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,

Logged

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
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 »
Logged
Pages: [1]   Go Up
« previous next »