Possible excited spin density wave states in zigzag graphene nanoribbons

TL;DR

This paper predicts the existence of excited spin density wave states in zigzag graphene nanoribbons, which are close in energy to the known antiferromagnetic ground state, suggesting potential coexistence at finite temperatures.

Contribution

It introduces the concept of excited spin density wave states in zigzag graphene nanoribbons, expanding the understanding of their magnetic properties beyond known edge states.

Findings

Existence of excited spin density wave states near the ground state energy

ESDW states are commensurate with flat edge band features

Possible coexistence of multiple spin states at finite temperatures

Abstract

We theoretically examine the possible spin ordered states in zigzag graphene nanoribbon in a large supercell by the self-consistent mean field method as well as the first principle calculation. In addition to the well-known anti-ferromagnetic (AF) and ferromagnetic (FM) edge states, we find that there are also some excited spin density wave (ESDW) states, the energy of which are close to the AF edge state (ground state). We thus argue that these ESDW states may coexist in experiment when the temperature is not too low. Our numerical results indicate that the allowed ESDW are commensurate; and their dispersion curve is plotted. This interesting feature results from the fact the there is a flat edge band near the Fermi surface in the graphene zigzag ribbon. Finally we use the non-equilibrium Green function theory combined with the Hubbard model to calculate some possible spin polarization states localized in the middle and terminal parts of graphene nanoribbons.