QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on September 28, 2015, 09:26

Title: Mobility / first-order DP
Post by: Dipankar Saha on September 28, 2015, 09:26

Hello,
While calculating  mobility do you take only the acoustic modes into account....?? Is it calculated via an analytical expression using isotropic first-order DP ?
Besides, what is the function of the "Refinement" field ?

Thanks & Regards_
Dipankar

Title: Re: Mobility / first-order DP
Post by: Dipankar Saha on October 7, 2015, 21:08

Please reply....!!

Title: Re: Mobility / first-order DP
Post by: kstokbro on October 9, 2015, 09:15

We include all modes, both optical and acustic, there is now a tutorial online
http://docs.quantumwise.com/tutorials/atk/mobility/mobility.html?highlight=mobility

Title: Re: Mobility / first-order DP
Post by: Jess Wellendorff on October 12, 2015, 14:23

New link: http://docs.quantumwise.com/tutorials/mobility.html (http://docs.quantumwise.com/tutorials/mobility.html)

Title: Re: Mobility / first-order DP
Post by: Dipankar Saha on October 12, 2015, 14:48

Thank you Jess...!!  :) / But, what are the changes...??!!
As far as I find....here you have specifically mentioned...that the calculated mobility is coming from the analytical expression (not from the generic eqn. (6) ) .../ Is this the only change?

Title: Re: Mobility / first-order DP
Post by: Jess Wellendorff on October 12, 2015, 14:55

No significant changes, mainly a change of web-link name.

Title: Re: Mobility / first-order DP
Post by: Dipankar Saha on October 12, 2015, 14:59

Besides, as you have mentioned.... "Considering only one effective acoustic phonon branch with effective sound velocity....";  does this mean that while calculating mobility...we need to set only one "phonon modes = [ ]" at a time ?

I mean that should be true... for deriving it from the analytical expression.... But, as you have also shown, inside the codes of the Mobility block... for the function 'Mobility () ' there is a parameter "phonon modes = [ ]" ...which is set to '1'. / If, the codes of the Mobility block implements....the generic expression of eq. (6) ...then I should always be able to set it as " = [0, 1, 2, 3...]"   /
 Is it not?

Title: Re: Mobility / first-order DP
Post by: Jess Wellendorff on October 12, 2015, 15:12

No, Eq. (7) is not used for ATK calculations. It is an analytic expression obtained from simplifying assumptions, and only serves to show the expected 1/T temperature dependence of the mobility in the high-temperature regime.

Title: Re: Mobility / first-order DP
Post by: Dipankar Saha on October 12, 2015, 15:33

Okay...I understand....!!  / Thanks again Jess for the replies .... :)

Regards_
Dipankar