« previous next »
Pages: [1]   Go Down

Author Topic: How to calculate electron mobility  (Read 4935 times)

0 Members and 1 Guest are viewing this topic.

Offline adul

  • Regular QuantumATK user
  • **
  • Posts: 7
  • Country: cn
  • Reputation: 0
    • View Profile
How to calculate electron mobility
« on: May 4, 2016, 15:01 »
Dear Users
I am using CASTEP or VASP .I have output file of bandstructure in csv or excel format.I wants to calculate the effective mass and electron mobility.Please suggest the way.I am using VNL -2015version.
Thanks in advance
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: How to calculate electron mobility
« Reply #1 on: May 5, 2016, 12:50 »
Take a look at these two tutorials for how to analyze the VASP calculated band structure and calculate an electron effective mass in VNL, http://quantumwise.com/publications/tutorials/item/523-set-up-and-analyze-vasp-calculations-with-vnl and http://docs.quantumwise.com/tutorials/effective_mass.html?highlight=effective%20mass.

Regarding mobility, I guess knowing just the band structure is not sufficient for calculating electron mobility.
Logged
Pages: [1]   Go Up
« previous next »