Bulk Si eff. mass vs. biaxial Strain
Hello there,
I was simulating Strain sweep on Bulk Si. I applied biaxial strain from -0.015 to 0.015 in 001 direction. I am interested in hole effective mass change as a function of strain. For the HH effmass vs. strain data, the eff mass for strain=0 is 1/2 of the bulk case (0.049m0) as given in literature. Can anyone tell me if I am doing anything wrong? I expect to see bulk HH and LH mass for strain=0 and I am not getting that for any direction. Please help.
Thank you
Sicnerely Yours, Ashish
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Denis Areshkin @ on
Hello Ashish,
Thank you for bug report. After running your case I observe the bug you described: For Unstrained Bulk:
Evhh Gamma (0,0,0) 100 0.2759 —- Evhh Gamma (0,0,0) 110 0.5809 —- Evhh Gamma (0,0,0) 111 0.7340 —-
For Bulk Strained in 001 direction by epsilon = 0.0001 Strain is defined as FREE FORM
Evhh Gamma (0,0,0) 100 0.2567 —- Evhh Gamma (0,0,0) 110 0.2567 —- Evhh Gamma (0,0,0) 111 0.2410 —-
For Bulk Strained in 001 direction by epsilon = 0.0001 Strain is defined as UNIAXIAL
Evhh Gamma (0,0,0) 100 0.2567 —- Evhh Gamma (0,0,0) 110 0.2567 —- Evhh Gamma (0,0,0) 111 0.2411 —-
Currently Band Structure Lab undergoes complete replacement (both computational engine and interface), but I will forward this info to the developer of current version of BSL (Abhijeet Paul) because he may be able to fix it sooner.
Best Regards,
Denis Areshkin
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Denis Areshkin @ on
This duplicates the previous reply, but with line breaks
Hello Ashish, Thank you for bug report. After running your case I observe the bug you described:
For Unstrained Bulk:
Evhh Gamma (0,0,0) 100 0.2759 —-
Evhh Gamma (0,0,0) 110 0.5809 —-
Evhh Gamma (0,0,0) 111 0.7340 —-
For Bulk Strained in 001 direction by epsilon = 0.0001 Strain is defined as FREE FORM
Evhh Gamma (0,0,0) 100 0.2567 —-
Evhh Gamma (0,0,0) 110 0.2567 —-
Evhh Gamma (0,0,0) 111 0.2410 —-
For Bulk Strained in 001 direction by epsilon = 0.0001
Strain is defined as UNIAXIAL
Evhh Gamma (0,0,0) 100 0.2567 —-
Evhh Gamma (0,0,0) 110 0.2567 —-
Evhh Gamma (0,0,0) 111 0.2411 —-
Currently Band Structure Lab undergoes complete replacement (both computational engine and interface), but I will forward this info to the developer of current version of BSL (Abhijeet Paul) because he may be able to fix it sooner.
Best Regards,
Denis Areshkin
Cancel Report abuse
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