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Metal-insulator transition in disordered systems from the one-body density matrix

Olsen, Thomas
•
RESTA, Raffaele
•
Souza, Ivo
2017
  • journal article

Periodico
PHYSICAL REVIEW. B
Abstract
The insulating state of matter can be probed by means of a ground state geometrical marker, which is closely related to the modern theory of polarization (based on a Berry phase). In the present work we show that this marker can be applied to determine the metal-insulator transition in disordered systems. In particular, for noninteracting systems the geometrical marker can be obtained from the configurational average of the norm-squared one-body density matrix, which can be calculated within open as well as periodic boundary conditions. This is in sharp contrast to a classification based on the static conductivity, which is only sensible within periodic boundary conditions. We exemplify the method by considering a simple lattice model, known to have a metal-insulator transition as a function of the disorder strength, and demonstrate that the transition point can be obtained accurately from the one-body density matrix. The approach has a general ab initio formulation and could in principle be applied to realistic disordered materials by standard electronic structure methods.
DOI
10.1103/PhysRevB.95.045109
WOS
WOS:000391311100001
Archivio
http://hdl.handle.net/11368/2910439
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85010748391
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.045109
Diritti
closed access
license:digital rights management non definito
FVG url
https://arts.units.it/request-item?handle=11368/2910439
Soggetti
  • Condensed Matter Phys...

Web of Science© citazioni
5
Data di acquisizione
Mar 17, 2024
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Data di acquisizione
Apr 19, 2024
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