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General Questions and Answers / NEGF query
« on: October 5, 2012, 08:55 »
Dear Sir,
I'm looking to undertake NEGF simulations of some direct and indirect band gap nano sheets.
As I understand an effective mass hamiltonian at K point is used to carry out NEGF studies in most such systems such as monolayer MoS2 (direct band gap), but if we go to multilayer MoS2 then the VB maxima and CB minima no longer are at K point.
Kindly advise what difference in the approach is to be applied when we are treating indirect band gap materials under the NEGF formalism.
I'm looking to undertake NEGF simulations of some direct and indirect band gap nano sheets.
As I understand an effective mass hamiltonian at K point is used to carry out NEGF studies in most such systems such as monolayer MoS2 (direct band gap), but if we go to multilayer MoS2 then the VB maxima and CB minima no longer are at K point.
Kindly advise what difference in the approach is to be applied when we are treating indirect band gap materials under the NEGF formalism.