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Old Apr 19th 2018, 09:11 AM   #1
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Join Date: Apr 2018
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Unhappy Crystal Symmetry Problem

Hello guys!

I have to solve a problem about crystal symmetry, but I am very lost, so I wonder if anyone could guide me.

The problem is the following:

Using semiclassical transport theory the conductivity tensor can be defined as:

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Where e is the electron charge, tau is a constant called relaxation time and vi the group velocity of an electron

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Knowing that the system belongs to the P6mm group draw a band diagram for the system with at least 4 special points of the reciprocal cell and, based on it, discuss the components of the conductivity tensor, including the directions along which the system conducts best and worst.

I use a specific program to obtain the band diagram, so that the only thing I have to do (I guess) is to optimize the number of k-points and to enter the band path, in order to obtain the band diagram.

But then, I have a lot of questions. Is there any specific path to study the conductivity? How many bands should I obtain in the diagram? How can I relate the conductivity tensor and the diagram? How do I know the directions along which the system conducts best and worst?

Please, give me a hand

Thank you!!!!!
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conductivity, crystal, problem, solid, symmetry



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