Author Topic: Effective mass calculation of the holes considering the Spin Orbit Coupling ,SOC  (Read 2792 times)

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Offline SDutta

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Hi,

I am calculating the bandstructure of bulk silicon considering the SOC. For that I have used the MGGA and OMX pseudopotentials. The band gaps are perfect and electron masses also. The split-off is also prominent. When I want to calculate the hole masses at the Gamma (G) point , I am getting six different effective masses (as now three band split    into two). But I am confused as I should get three distinct masses (LH,HH and SO). Why six ?

Why is it happening ?

Thank you.
SD   

Offline Petr Khomyakov

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Could you post all the six values for the hole effective masses you have obtained? It would also be helpful if you enclose the py script related to your calculation.