Electronic structure and parity effects in correlated nanosystems

TL;DR

This paper investigates how the electronic, transport, and magnetic properties of small quantum nanowires vary with atom number and electron parity, using combined Exact Diagonalization and Ab Initio methods.

Contribution

It introduces a detailed analysis of parity effects in nanosystems using a hybrid computational approach, highlighting boundary condition impacts.

Findings

Spectral and magnetic properties differ significantly between even and odd atom numbers.

Momentum distribution shows drastic differences based on electron parity.

Drude weight varies smoothly despite other property differences.

Abstract

We discuss the spectral, transport and magnetic properties of quantum nanowires composed of N\leq 13 atoms and containing either even or odd numbers of valence electrons. In our approach we combine Exact Diagonalization and Ab Initio calculations (EDABI method). The analysis is performed as a function of the interatomic distance. The momentum distribution differs drastically for those obtained for even N with those for odd N, whereas the Drude weight evolves smoothly. A role of boundary conditions is stressed.