[Wien] Deformation Potential

[uchit chaudhary]

Dear experts,
My aim to calculate the deformation potential is for relaxation time
measurement. For this I applied the strain method and noted the band edge
energy value for VBM and CBM from the band structure. I found that VBM is
exactly at Fermi energy at 0 and there is no any change with strain. So, I
could not find the band energy edge of the VBM, which is essential in
relaxation time calculation. I checked the calculation of this paper: [8]
https://doi.org/10.1038/srep22778
I found that the band structure VBM lies exactly at 0, but the paper has
reported differently; that may be for measuring deformation potential. The
paper has mentioned this :   Figure 2(a) presents the band edge energy (E
edge ) values at the CBM and VBM for electrons and holes as a function of
the uniaxial strain δ β assigned along the a-axis, respectively, exhibiting
good linear dependence. Here, the average electrostatic potential 32 is set
as a reference to obtain the absolute band edge shifts. The DP constant λ β
values, as listed in Table 1, are similar for electrons (λ β = − 15.94 eV)
and holes (λβ  = − −14.51 eV). Now, my question is how to do this
calculation for measuring band edge energy for VBM and CBM accurately?

On Sun, Feb 8, 2026 at 5:53 PM uchit chaudhary <uchitchaudhary99 at gmail.com>
wrote:

> Dear experts,
>
> How to calculate the deformation potential in Wien2k?
>
>
>
>
> Best Regards,
> Wien2k user
> uchit
>
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