The qualitative difference between insulators and metals stems from the nature of the low-lying excitations, but also---according to Kohn's theory [Phys. Rev. vol. 133, A171 (1964)]---from a different organization of the electrons in their ground state: electrons are localized in insulators and delocalized in metals. We perform simulations over a one-dimensional binary alloy model, in a tight-binding scheme. In the ordered case the model is either a band insulator or a band metal, whereas in the disordered case it is an Anderson insulator. The results show indeed a localized/delocalized ground state in the insulating/metallic cases, as expected. More interestingly, we find a significant difference between the two insulating cases: band vs. Anderson. The insulating behavior is due to two very different scattering mechanisms. We show that even the organization of the electrons in the many body ground state is very different (for the same binary composition of the model system) in the two cases. We also analyze the relevant differences form the viewpoint of Boys' theory of localization.

Kohn's localization in the insulating state: One-dimensional lattices, crystalline versus disordered / G.L. Bendazzoli; S. Evangelisti; A. Monari; R. Resta. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 133:(2010), pp. 064703-1-064703-7. [10.1063/1.3467877]

Kohn's localization in the insulating state: One-dimensional lattices, crystalline versus disordered

BENDAZZOLI, GIAN LUIGI;
2010

Abstract

The qualitative difference between insulators and metals stems from the nature of the low-lying excitations, but also---according to Kohn's theory [Phys. Rev. vol. 133, A171 (1964)]---from a different organization of the electrons in their ground state: electrons are localized in insulators and delocalized in metals. We perform simulations over a one-dimensional binary alloy model, in a tight-binding scheme. In the ordered case the model is either a band insulator or a band metal, whereas in the disordered case it is an Anderson insulator. The results show indeed a localized/delocalized ground state in the insulating/metallic cases, as expected. More interestingly, we find a significant difference between the two insulating cases: band vs. Anderson. The insulating behavior is due to two very different scattering mechanisms. We show that even the organization of the electrons in the many body ground state is very different (for the same binary composition of the model system) in the two cases. We also analyze the relevant differences form the viewpoint of Boys' theory of localization.
2010
Kohn's localization in the insulating state: One-dimensional lattices, crystalline versus disordered / G.L. Bendazzoli; S. Evangelisti; A. Monari; R. Resta. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 133:(2010), pp. 064703-1-064703-7. [10.1063/1.3467877]
G.L. Bendazzoli; S. Evangelisti; A. Monari; R. Resta
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/91125
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