Mathematica Plotting Graphene in Mathematica

AI Thread Summary
The discussion revolves around plotting the 3D band structure of graphene in Mathematica, where the user faces an issue with the K-points not touching, which is crucial for accurately representing graphene's electronic properties. The provided code appears to work correctly with the variable 'a' set to 2.46, but the surfaces at the K-points do not meet as expected. Suggestions include adjusting the PlotPoints parameter to 60 for sharper peaks and experimenting with WorkingPrecision to minimize gaps. Users note that while the plot renders, it may not fully capture the desired electronic characteristics. Overall, refining the plotting parameters may help achieve the correct visualization of the band structure.
nuclearpasta
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I am encountering an issue when I plot attempting to plot 3d band structure of graphene in Mathematica. While the general shape and curvature looks fine, the cones at the K-points are not touching, which is an important qualitative electronic property of graphene. Since further down the line I want to test the effects of extra terms in the Hamiltonian, I need to first ensure that this is working as expected. Code is provided below:

Code:
f[kx_, ky_,
   t_] := -t E^(-I kx a) (1 + 2 E^(I (3 kx a)/2)*Cos[Sqrt[3]/2 ky a]);

GrapheneHam[kx_, ky_, t_] :=
  ComplexExpand[{{0, f[kx, ky, t]}, {Conjugate[f[kx, ky, t]], 0}}];

Energies[kx_, ky_, t_] := Eigenvalues[GrapheneHam[kx,ky,t]];

Plot3D[Energies[kx,ky, 2.8], {kx, -Pi/a, Pi/a},{ky, -Pi/a, Pi/a}]

In this case the variable a is set to 2.46. Would anyone know if there is something in the syntax I am doing incorrectly, or perhaps the dispersion is being calculated wrong? Any help is appreciated. Thanks!
 
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It plots fine for me as long as I set a=2.46 at the beginning of the code
 
That's strange. When I do it I get that the two surfaces never touch each other, which is what is supposed to happen at the six corners of the hexagon.
 
nuclearpasta said:
That's strange. When I do it I get that the two surfaces never touch each other, which is what is supposed to happen at the six corners of the hexagon.

Ok, I only meant that it plotted. Can't say if the plot is what you want though.
 
I think it's an issue with PlotPoints, when I set them on 60 (fair bit of warning: this usually takes quite long to render), the peaks at the "hexagon" are much sharper, you could try experimenting with that. Tampering with the WorkingPrecision also seems to refine it even more, I've tried setting it to 5 and the gaps are almost unnoticeable.
 

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