Topological quantisation and gauge invariance of charge transport in liquid insulators

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 quantisation 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.

7 pages, 4 figures

References in corpus (2)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO

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