According to the Green–Kubo theory of linear response, the conductivity of an electronically gapped liquid can be expressed in terms of the time correlations of the adiabatic charge flux, which is determined by the atomic velocities and Born effective charges. We show that topological quantization of adiabatic charge transport and gauge invariance of transport coefficients allow one to rigorously express the electrical conductivity of an insulating fluid in terms of integer-valued, scalar, and time-independent atomic oxidation numbers, instead of real-valued, tensor and time-dependent Born charges.

Topological quantization and gauge invariance of charge transport in liquid insulators / Grasselli, F.; Baroni, S.. - In: NATURE PHYSICS. - ISSN 1745-2473. - (2019). [10.1038/s41567-019-0562-0]

Topological quantization and gauge invariance of charge transport in liquid insulators

Grasselli F.;Baroni S.
2019

Abstract

According to the Green–Kubo theory of linear response, the conductivity of an electronically gapped liquid can be expressed in terms of the time correlations of the adiabatic charge flux, which is determined by the atomic velocities and Born effective charges. We show that topological quantization of adiabatic charge transport and gauge invariance of transport coefficients allow one to rigorously express the electrical conductivity of an insulating fluid in terms of integer-valued, scalar, and time-independent atomic oxidation numbers, instead of real-valued, tensor and time-dependent Born charges.
https://rdcu.be/bIgCn
https://www.nature.com/articles/s41567-019-0562-0
https://arxiv.org/abs/1902.07256
Grasselli, F.; Baroni, S.
File in questo prodotto:
File Dimensione Formato  
s41567-019-0562-0.pdf

non disponibili

Descrizione: File scaricabile online
Tipologia: Versione Editoriale (PDF)
Licenza: Tutti i diritti riservati (All rights reserved)
Dimensione 3.83 MB
Formato Adobe PDF
3.83 MB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/20.500.11767/98654
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 13
  • ???jsp.display-item.citation.isi??? 13
social impact