Geometry dependence of the conductance oscillations of monovalent atomic chains

TL;DR

This study uses a tight binding model to analyze how the conductance oscillations in monovalent atomic chains depend on contact geometry, revealing strong geometry effects on conductance behavior.

Contribution

It validates a three-parameter conductance formula across various lead orientations and explores the impact of contact geometry on conductance oscillations.

Findings

Conductance oscillations are highly sensitive to contact geometry.

The three-parameter formula remains valid for different lead orientations.

Geometry significantly influences conductance oscillation patterns.

Abstract

Using a tight binding model we calculate the conductance of monovalent atomic chains for different contact geometries. The leads connected to the chains are modelled as semi-infinite fcc lattices with different orientations and couplings. Our aim is twofold: To check the validity of a three-parametric conductance formula for differently oriented leads, and to investigate the geometry dependence of the conductance oscillations. We show that the character of these oscillations depends strongly on the geometry of the chain-lead coupling.