Anh-Luan Phan

2 Questions 3 Answers 0 Followers

Questions related from Anh-Luan Phan

Does the change in absolute values of the valence band offset from DFT calculations reflect the realistic change?

If I calculate the DFT (Density Functional Theory, with hybrid functional) band-structures of a semiconductor, says GaAs, for different values of the lattice constant (equivalent to applying...

06 February 2024 5,699 6 View

Is the pseudopotential MBJLDA implemented in Quantum Espresso?

I'm trying to calculate the band structures of some small-gap materials like InSb, GaSb using Quantum Espresso. However, using the conventional pseudopotentials gives a zero gap with an inverted...

28 October 2021 6,737 2 View