Monalisa Nur Ramadhan

2 Questions 5 Answers 0 Followers

Questions related from Monalisa Nur Ramadhan

Why my BoltzTraP calculation shows different type of semiconductor?

Hello everyone, I have done running pwscf and BoltzTraP calculation for bulk Mg2Si. After I plot the seebeck with energy, the plot shows that Mg2Si is p-type semiconductor (In the fermi energy,...

29 June 2020 5,330 3 View

Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data?

Hello everyone, I have been doing DFT calculation using Quantum Espresso for DOS and Bands calculation of Mg2Si bulk. The exchange correlation energy of pseudopotential that I use for both Mg and...

14 June 2020 5,483 7 View