Calculating the Z2 Invariant in Kane-Mele Model

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SUMMARY

The discussion focuses on calculating the Z2 invariant in the Kane-Mele model of graphene using a tight binding approach. The user has successfully produced band structures and surface states but struggles with the computational method to derive the Z2 invariant. They utilize a time-reversal matrix and attempt to calculate the Pfaffian and determinant but do not achieve a quantized result. The user seeks guidance on effective computational methods for this calculation.

PREREQUISITES
  • Understanding of topological insulators and the Kane-Mele model
  • Familiarity with tight binding models in condensed matter physics
  • Knowledge of Pfaffians and determinants in linear algebra
  • Experience with computational physics techniques and coding
NEXT STEPS
  • Study the calculation of the Z2 invariant as outlined in Fu and Kane's 2006 paper
  • Explore Bernevig and Hughes's book on topological insulators for theoretical insights
  • Learn about computational methods for tight binding models in quantum mechanics
  • Investigate software tools for band structure calculations, such as Quantum ESPRESSO or VASP
USEFUL FOR

Researchers and students in condensed matter physics, particularly those focusing on topological insulators and computational modeling of quantum systems.

Teek
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Hi Everyone,

As part of my computational project in topological insulators, I wish to calculate the Z2 invariant in my tight binding model of Kane-Mele Graphene. I have so far produced band structure and surface states consistent with literature, and have been looking at the theory of the Z2 invariant, and in my attempt at writing code to produce the result in a QSH insulator, I cannot seem to get it to work. I simply produce a matrix for time reversal, which is [[0, 1],[-1,0]] tensor identity, and calculate the sewing matrix elements defined in Fu and Kane's paper (2006). However when finding the Pfaffian of the Matrix and dividing by the square route of the determinant for each Time-reversal Invariant momenta in Graphene's 2D BZ, their combined product does not give me a correct answer nor even a quantised one. There isn't really anyone with much knowledge at my institution, so I do not know where to go for advise on this. Is there an effect computational method of calculating the Z2 invariant from the Kane-Mele model in tight binding form?

I really appreciate the help.
Thanks.
 
I would look at Bernevig and Hughes's book topological insulators and topological superconductors.
 

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