4.6 Article

Locally self-consistent embedding approach for disordered electronic systems

期刊

PHYSICAL REVIEW B
卷 100, 期 5, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.100.054205

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资金

  1. US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0017861]
  2. US Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division
  3. DOE Office of Science User Facility [DE-AC05-00OR22725]
  4. Augsburg Center for Innovative Technologies
  5. Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [107745057-TRR 80/F6]
  6. U.S. Department of Energy (DOE) [DE-SC0017861] Funding Source: U.S. Department of Energy (DOE)

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We present an embedding scheme for the locally self-consistent method to study disordered electron systems. We test this method in a tight-binding basis and apply it to the single band Anderson model. The local interaction zone is used to efficiently compute the local Green's function of a supercell embedded into a local typical medium. We find a quick convergence as the size of the local interaction zone which reduces the computational costs as expected. This method captures the Anderson localization transition and accurately predicts the critical disorder strength. The present work opens the path towards the development of a typical medium embedding scheme for the O(N) multiple scattering methods.

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