Nga Do

2 Questions 6 Answers 0 Followers

Questions related from Nga Do

How to calculate the zero point energy ( ZPE ) of semiconductor ?

Dear all, I am a new Quantum Espresso's user. I am studying undoped ZnO and doped ZnO. And now I have to calculate the formation energies included the ZPE in my calculations. I find out there are...

25 April 2017 5,320 3 View

How can I improve bandgap of Zinc Oxide by using DFT+U ?

I read some paper about this subject [ Yen-Chun Peng Optical Material 39 2015; Luis A. Agapito PHYSICAL REVIEW X 5, 011006 (2015) ... ] then they show how to do and some values. The valence...

22 March 2016 369 7 View