[Wien] Need help ; Calculating effective mass with fold2Bloch

Yongbeom Cho jj2928 at naver.com
Wed Jan 20 14:29:52 CET 2016


Hi. Thanks for reading this.
I want to calculate the effective mass from the band structure with fold2Bloch data.
I used the parabolic approximation method to calculate effective mass.
So, I need band structure which is proper to get effective mass (same ratio of the band width is required)
 
Even though there is no problem to see energy band gap, I can't get the reasonable effective mass in my case. 
The band width ratio is quite weird. the ratio of the distance from gamma to X and the distance from gamma to L is not accurate.
 
I used 2x2x3 structure and 3x3x2 structure.
How can I plot 2x2x3 and 3x3x2 with the same ratio of 1x1x1 band structure with fold2Bloch and matlab?
Does fold2Bloch include the solution for this case?
 
 
 
Best regards,
Yongbeom Cho.
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