How to Plot a 2D band structure?

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Discussion Overview

The discussion focuses on how to plot a 2D band structure for graphene using a tight-binding dispersion relation. Participants explore different methods and approaches for visualizing the energy as a function of wave vector components along specific paths in the Brillouin zone.

Discussion Character

  • Technical explanation
  • Mathematical reasoning
  • Homework-related

Main Points Raised

  • One participant shares the tight-binding dispersion relation for graphene and seeks assistance in plotting it along the path K → Γ → M → K, expressing uncertainty about how to handle the varying k_x and k_y values.
  • Another participant suggests that both k_x and k_y can be expressed as linear functions of a common parameter s, allowing for plotting energy as a function of s.
  • A third participant recommends using the surf function in Matlab to create the E-K diagram, providing a syntax example and a reference image for clarity.
  • A later reply indicates that the original poster successfully implemented the suggestions and was able to plot both 2D and 3D representations of the band structure using meshgrid() in Matlab.

Areas of Agreement / Disagreement

Participants generally agree on the methods for plotting the band structure, with some differing in their approach to parameterization and plotting techniques. The discussion appears to have resolved the original poster's query, but no consensus on a singular method is explicitly stated.

Contextual Notes

Some assumptions about the plotting methods and the specific implementation in Matlab may not be fully detailed, and the discussion does not explore potential limitations of the approaches suggested.

Who May Find This Useful

This discussion may be useful for individuals interested in computational physics, particularly those working with band structure calculations and visualizations in materials science.

stranhuz
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Dear forum people,

I just learned how to get a tight-binding dispersion for graphene:

E = +- \sqrt{1+4\cos((\sqrt{3}a/2) k_x)\cos((a/2) k_y)+4\cos^2((a/2) k_y)}

But i can not figure out how can I plot that. I want to plot that in the following path: K \rightarrow \Gamma \rightarrow M \rightarrow K.

I think k_y = 0 in the line \Gamma M and I should plot(E,k_x); k_x = constant in the line MK and I should plot(E,k_y); but I don't know how the plot() is look like for K \Gamma, where both k_x and k_y are not constant.

For nanotube, I was able to do that becouse we just had k, so I just made "plot(E,k,'b')". Here in graphene, we have both k_x, k_y.

I would be appreciated if could some one give me a hand on my problem.

Best wishes for all.
 
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The curve connecting the two points is a straight line, hence both k_x and k_y can be written as linear functions of a common parameter s ranging from 0 to 1.
Specifically if k_0 ist the coordinate vector of the first point and k_1 of the last, then the line is
k_0 +s*(k_1-k_0) and you can plot the energy as a function of the scalar parameter s.
 
How to Plot a 2D band structure? [Solved]

Dear DrDu and Wolfgang2b,

Thank you very much. Your answer was very useful. It worked pretty fine. Now I'm able to plot the 2D and 3D for graphene on matlab.

For 3D plot, I had to use meshgrid(), in order to create the matrix KX an KY, then use surf(KX,KY,Ek). It worked fine. The plot was very nice.

Best wishes and Thank you again.
 

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