Elie Albert Moujaes

4 Questions 5 Answers 0 Followers

Questions related from Elie Albert Moujaes

Quantum dots and DFT?

Hello all, I am trying to use DFT to obtain the 'bandgaps' andopical properties of a few quantum dots (QD) I am working on. I know that QD are non periodic and we cannot actually talk about...

17 December 2021 8,577 6 View

Calculating the effective mass manually

I am trying to calculate the effective mass of electrons and holes manually from the band structure of a 2D system I am working on. I have only considered the maximum valence band and the minimum...

01 January 1970 4,163 3 View

EMIN < -3Ry error in SPRKKRR code

Anynone familiar with the SPRKKR code? I am trying to perform an SCF calculation for 2D systems; however at some point the code complains that EMIN < -3Ry and stops. I tried playing with the...

01 January 1970 5,381 0 View

Mobility expression in 1D systems

Hi everyone. Does anyone know a reference where the expression of the mobility for one-dimensional systems ,within deformation potential theory, is discussed? thanks in advance

01 January 1970 4,848 0 View