Author Topic: Mobility / first-order DP  (Read 5177 times)

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Offline Dipankar Saha

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Mobility / first-order DP
« 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

Offline Dipankar Saha

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Re: Mobility / first-order DP
« Reply #1 on: October 7, 2015, 21:08 »
Please reply....!!

Offline kstokbro

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Re: Mobility / first-order DP
« Reply #2 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

Offline Jess Wellendorff

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Re: Mobility / first-order DP
« Reply #3 on: October 12, 2015, 14:23 »

Offline Dipankar Saha

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Re: Mobility / first-order DP
« Reply #4 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?

Offline Jess Wellendorff

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Re: Mobility / first-order DP
« Reply #5 on: October 12, 2015, 14:55 »
No significant changes, mainly a change of web-link name.

Offline Dipankar Saha

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Re: Mobility / first-order DP
« Reply #6 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?
« Last Edit: October 12, 2015, 15:20 by Dipankar Saha »

Offline Jess Wellendorff

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Re: Mobility / first-order DP
« Reply #7 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.

Offline Dipankar Saha

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Re: Mobility / first-order DP
« Reply #8 on: October 12, 2015, 15:33 »
Okay...I understand....!!  / Thanks again Jess for the replies .... :)

Regards_
Dipankar