« previous next »
Pages: [1]   Go Down

Author Topic: density of states  (Read 2262 times)

0 Members and 1 Guest are viewing this topic.

Offline Sandeep Kumar Jain

  • New QuantumATK user
  • *
  • Posts: 1
  • Country: in
  • Reputation: -1
    • View Profile
density of states
« on: January 6, 2012, 08:20 »
dear all,

what does dip in density of states at fermi level represent in nanotubes?
Logged

Offline zh

  • QuantumATK Support
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: density of states
« Reply #1 on: January 6, 2012, 08:59 »
Sometime, it may come from the numerical computation. Try the increasing of k-mesh and the tuning of temperature in Fermi-Dirac distribution function.  If possible, could you post the figure for the obtained DOS in your calculations?
Logged

Offline jai

  • Regular QuantumATK user
  • **
  • Posts: 21
  • Reputation: 2
    • View Profile
Re: density of states
« Reply #2 on: January 26, 2012, 07:53 »
It also depends upon the material so its hard to say anything without seeing structure or the script..
Logged
Pages: [1]   Go Up
« previous next »