MATLAB Graphene band structure Matlab code

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The discussion centers on a code snippet for calculating the 3D band structure of graphene, highlighting a discrepancy between the expected hexagonal shape of the first Brillouin zone and the rectangular form used in the code. The parameters defined include the Coulomb integral (E0), the hopping integral (V), and the carbon-carbon bond length (acc), which contribute to the creation of necessary k-vectors. The code generates a mesh grid for kx and ky, and calculates energy values for two energy meshes based on the specified parameters. The plotting section visualizes the energy bands, indicating that while the Brillouin zone appears rectangular in the plot, the hexagonal structure is represented within the energy bands themselves. This raises questions about the representation of the Brillouin zone in the context of the calculations and visualizations.
Mohammad-gl
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I have this code for 3D band structure of graphene but i can't understand why while graphene first brillouin zone is hexagonal but here a rectangle form of first brillouin zone is used?E0 = 0; % coloumb integral
V = -2.7; % hopping integral [eV]
acc = 1.41; % c-c bond length [Angstrom]
lattice = acc*sqrt(3); % Lattice constant
% Creating necessary k-vectors
kx = linspace(-2*pi/(lattice),2*pi/(lattice),100);
ky = linspace(-2*pi/(lattice),2*pi/(lattice),100);
[k_x,k_y] = meshgrid(kx, ky);
% Energy values with the preset parameters

energy_mesh1 = (E0 + V*sqrt(1 + (4.*((cos(k_y/2*lattice)).^2)) + (4.*(cos(sqrt(3)/2*lattice*k_x)).*(cos(k_y/2*lattice)))));

energy_mesh2 = (E0 - V*sqrt(1 +(4.*((cos(k_y/2*lattice)).^2)) +(4.*(cos(sqrt(3)/2*lattice*k_x)).*(cos(k_y/2*lattice)))));% Plotting
surf(k_x, k_y, real(energy_mesh1));
hold on
surf(k_x, k_y, real(energy_mesh2));
colormap('jet');
shading interp
hx = xlabel('k_x');
hy = ylabel('k_y');
hz = zlabel('E(k)');
 
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plotting purposes only, the hexagonal part is in the energy bands themselves.
 

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