Band diagram, conductivity tensor

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Discussion Overview

The discussion revolves around understanding how to extract information about conductivity directions from a band diagram, particularly focusing on the relationship between electron velocity, the conductivity tensor, and the transformation from reciprocal space to real space.

Discussion Character

  • Exploratory, Technical explanation, Conceptual clarification

Main Points Raised

  • One participant inquires about determining the best and worst conductivity directions from a band diagram.
  • Another participant suggests that Fermi surfaces might be relevant to the discussion.
  • A participant explains that the velocity of electrons can be derived from the slope of the E vs k diagram and relates this to the conductivity tensor, indicating that higher velocities correspond to higher conductivity.
  • There is a question about how to identify the directions of best and worst conductivity in reciprocal space and how to translate this information into real space.
  • One participant introduces equations related to current density and resistivity, suggesting they may be pertinent to the inquiry.

Areas of Agreement / Disagreement

Participants have not reached a consensus, and multiple viewpoints regarding the relationship between band diagrams, conductivity, and resistivity remain. The discussion includes questions and suggestions without definitive answers.

Contextual Notes

There are unresolved aspects regarding the specific definitions of terms like "conductivity tensor" and "resistivity," as well as the assumptions underlying the relationships discussed.

Juanchotutata
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Hello!

Does anyone have an idea of how can I obtain information from a band diagram about the directions along which the system conducts best and worst ?

Thank you in advanced! :)
 
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Do you mean Fermi surfaces?
 
I mean, I have a E vs k space diagram like this one, for example,

graphene_bs_9x9_dft.png


(but imagine that I only have one line). I know that the velocity of the electron can be described as dE/dk. So that I can relate the different slopes of each part of my line with the velocity. At the same time, I know that the conductivity tensor depends on this velocity. Therefore, the higher the velocity the higher the conductivity. But now, how can I know the directions along which the system conducts best and worst (in the reciprocal space) and transform them to the real space?

(I hope I've explained myself well)
 

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  • graphene_bs_9x9_dft.png
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Do you mean the resistivity along any direction? Something relevant would be :$$\mathbf{j}=\mathbf{\sigma}\cdot\mathbf{E}$$$$\mathbf{E}=\mathbf{\sigma}^{-1}\cdot\mathbf{j}=\rho\cdot\mathbf{j}$$$$\mathbf{j}_{\text{n}}=(-e)\int_{\text{occupied}}f(\epsilon_{\text{n}}(\mathbf{k}))\frac{d\mathbf{k}}{4\pi^3}\mathbf{v}_{\text{n}}(\mathbf{k})\to-ne\mathbf{v}_{\text{drift}}$$Are these thing what you're looking for?
 

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