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General Questions and Answers / Effective mass calculation of the holes considering the Spin Orbit Coupling ,SOC
« on: January 8, 2017, 09:08 »
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
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