« previous next »
Pages: [1]   Go Down

Author Topic: Band gap of MoS2  (Read 3063 times)

0 Members and 1 Guest are viewing this topic.

Offline abhishek77492652

  • QuantumATK Guru
  • ****
  • Posts: 111
  • Country: in
  • Reputation: 0
    • View Profile
Band gap of MoS2
« on: September 24, 2017, 14:14 »
Hello Sir,
I have calculated the bandgap of MoS2 monolayer using GGA-PBE and LDA-PW but i am not getting the actual value  (1.9 eV  experimentally).  I obtain 1.68 eV  using GGA-PBE and 1.82 eV using LDA-PW.  How i get actual value ?
Logged
Pages: [1]   Go Up
« previous next »