Point defects in tight binding models for insulators

@article{Ortner2020PointDI,
  title={Point defects in tight binding models for insulators},
  author={Christoph Ortner and Jack Thomas},
  journal={Mathematical Models and Methods in Applied Sciences},
  year={2020}
}
  • C. Ortner, Jack Thomas
  • Published 11 April 2020
  • Physics
  • Mathematical Models and Methods in Applied Sciences
We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and an exponential rate of convergence for the nuclei configuration is established. We also formulate the thermodynamic limit model at zero Fermi-temperature, extending the results of [H. Chen, J. Lu and C. Ortner, Thermodynamic limit of crystal defects with finite temperature tight binding, Arch. Ration. Mech. Anal. 230… 

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