Transport in close-packed solids with stacking defects

TL;DR

This paper investigates how stacking defects in close-packed solids like lithium and sodium influence electronic transport, revealing that conductance is generally insensitive to disorder but can be affected by specific stacking faults when next-nearest-neighbour hopping is considered.

Contribution

It provides an analytic framework linking stacking disorder to electron conductance, highlighting the role of next-nearest-neighbour hopping in differentiating close-packed structures.

Findings

Conductance is insensitive to phase disorder with only nearest-neighbour hopping.

Next-nearest-neighbour hopping introduces sensitivity to stacking arrangements.

Multiple stacking faults lead to conductance decrease due to localization.

Abstract

Lithium and sodium are the only solids that are known to lose crystalline order upon cooling. The seemingly-disordered low-temperature phase shows signatures of various close-packed structures. The lack of order has been attributed to a hidden gauge symmetry that arises when electrons from one layer can hop to a neighbouring layer but not further. It makes all close-packed structures nearly degenerate and leads to ``structural frustration''. In this article, we examine whether this symmetry is reflected in transport signatures. Taking advantage of in-plane translational periodicity, we map the bulk Bloch Hamiltonian to an effective one-dimensional chain, with stacking disorder mapping to random phases of the hopping amplitudes. We derive an explicit analytic form for the Green's function of electrons and use it to calculate conductance of a bulk crystal. When hopping in the effective one-dimensional chain is restricted to nearest neighbours, conductance is completely insensitive to phase disorder, which indicates that all close-packed structures exhibit the same conductance. We show that the leading correction that can differentiate between close-packed structures arises from hopping to the next-nearest-neighbour layer, equivalent to second-neighbour hopping in the chain model. This process appears when a pair of next-neighbour layers are aligned in a certain way, e.g., at an hcp-like stacking fault within an fcc background. With this hopping included, conductance becomes sensitive to the precise arrangement of layers. When multiple stacking faults are present, the conductance decreases with increasing system size, as expected from Anderson localization. Our results are applicable to pressurized lithium and sodium, where conductance measurements can identify and characterize stacking faults.