Density of states of graphene per unit area

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SUMMARY

The density of states (DOS) per unit area for monolayer and bilayer graphene can be calculated using Mathematica by applying the formula DOS=(1/Nk)*Ʃ δ(E-Ek), where Nk represents the total number of k vectors in the First Brillouin zone. To obtain the DOS per area, one must divide the calculated DOS by the area of the Brillouin zone, which is determined in reciprocal space. The area is calculated using the formula A = (2π)^2/|det(G)|, where G is the matrix of reciprocal lattice vectors. Thus, the final expression for DOS per unit area is DOS/(2π)^2/|det(G)|.

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  • Understanding of density of states (DOS) in solid-state physics
  • Familiarity with reciprocal space and Brillouin zones
  • Proficiency in using Mathematica for numerical computations
  • Knowledge of lattice vectors and their determinants
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  • Research the concept of reciprocal lattice vectors in solid-state physics
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  • Study the derivation and significance of the Brillouin zone area formula A = (2π)^2/|det(G)|
  • Explore advanced techniques for visualizing density of states in two-dimensional materials
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Physicslad78
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Dear all,

My aim is to get the density of states (DOS) per unit area for monolayer (bilayer) graphene. I have done this using mathematica. I have set a sampling k grid with 22500 points and computed the expression:

DOS=(1/Nk)*Ʃ δ(E-Ek) where the sum is over the k points in the reciprocal space and Nk is the total number of k vectors covering the First Brillouin zone. Then I substituted the δ-function with a gaussian function so that the above DOS is obtained per energy. My question is how to obtain the DOS per area from this expression. Do we have to divide by the area of the Brillouin zone (is it the area of the Unit cells described by lattice vectors?). If yes, is it in the real space of reciprocal space? Thanks a lot...waiting for your reply..




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The Attempt at a Solution

 
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Yes, you have to divide by the area of the Brillouin zone. The area is in the reciprocal space as it is related to the reciprocal lattice vectors. The area of the Brillouin zone is given by A = (2π)^2/|det(G)|, where G is the matrix containing the reciprocal lattice vectors. Therefore, the DOS per unit area is given by DOS/(2π)^2/|det(G)|.
 

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