[QE-users] Shifting of Fermi level by applying bi-axial strain

[Rajneesh Chaurasiya]

Dear Paolo,
My question is simple, why the Fermi level is shifted close to valance band
or conduction band by shifting the Fermi energy in strained monolayers.
In basic semiconductor, if the Fermi level is close to conduction band then
its called n types semiconductor while if the Fermi level is close to the
valance band is called p type semiconductor.
In most the software like Wien2k Fermi level is located close to the
valance band means all states are filled upto that level and also remain
same by applying the strain. but in espresso, its switch to valance band
maxima and conduction band minima by according to applied strain. i think,
its not acceptable. please correct if i am wrong.


On Thu, Jul 5, 2018 at 11:47 AM, Rajneesh Chaurasiya <rajnano2012 at gmail.com>
wrote:

> Dear All,
>
> I have computed the electronic band structure under the compression and
> tensile strain. Change in the conduction band minima and valance band
> maxima are slightly shifted with strain which i have also verified from the
> WIEN2K but when i add or subtract the Fermi energy, then i observed in some
> cases, Fermi level close to conduction and some cases the Fermi energy
> close to valance band. since by applying the strain the types of
> semiconductor behavior (n type or p type) does not change. then why the
> Fermi level is shifted close to valance band maxima or conduction band
> minima. such types of behavior are not observed in the WIEN2k. why the
> Fermi level is shifted according to strain?
>
> --
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
>



-- 
Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
              +91-7610950803
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