« previous next »
Pages: [1]   Go Down

Author Topic: piezoelectric study  (Read 3925 times)

0 Members and 1 Guest are viewing this topic.

Offline swap700

  • Regular QuantumATK user
  • **
  • Posts: 16
  • Country: us
  • Reputation: 0
    • View Profile
piezoelectric study
« on: April 7, 2011, 10:36 »
Can anyone shed some light on what possible methods are possible to study piezoelectric response of a system ( ex boron nitride NT), for example computing its piezoelectric coefficient. ?
Logged

Offline kstokbro

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 392
  • Reputation: 13
    • View Profile
    • QuantumWise
Re: piezoelectric study
« Reply #1 on: April 7, 2011, 16:08 »
piezo electricity is the relation between length and electric field. Thus you might take a finite lenght carbon nanotube and imbed it in an electric field and calculate the lenght as a function of the electric field. This can be done in ATK
Some software can calculate the coefficient with pertubation theory, I think the pwscf code can do this.
Logged

Offline swap700

  • Regular QuantumATK user
  • **
  • Posts: 16
  • Country: us
  • Reputation: 0
    • View Profile
Re: piezoelectric study
« Reply #2 on: April 7, 2011, 18:39 »
Yes, but in case if I want to observe the effect of change in length ( applying strain), how do I get to computing electric field ( polarization along the axes) ?
Logged
Pages: [1]   Go Up
« previous next »