Isolated zero-energy flat-bands and intrinsic magnetism in carbon monolayers

TL;DR

This paper demonstrates the theoretical design of stable carbon monolayers with flat-bands at the Fermi level, revealing their potential for intrinsic magnetism and novel electronic properties in metal-free light-element materials.

Contribution

The study introduces new 2D carbon allotropes with flat-bands, confirming their stability and magnetic properties, expanding flat-band realization beyond twisted graphene bilayers.

Findings

Two stable carbon phases with flat-bands at the Fermi level.

One phase exhibits flat-band related magnetism as a half-metal.

Flat-bands in these phases have lower Fermi velocities than in magic-angle graphene.

Abstract

Flat-band in twisted graphene bilayer has garnered widespread attention, and whether flat-bands can be realized in carbon monolayer is an interesting topic worth exploring in condensed matter physics. In this work, we demonstrate that, based on the theory of compact localized states, a series of two-dimensional carbon allotropes with flat-bands can be achieved. Two of them named as 191-8-66-C-r567x-1 and 191-10-90-C-r567x-1 are confirmed to be dynamically stable carbon phases with isolated or weakly overlapped flat-bands at the Fermi-level. The maximum Fermi velocities of the flat-band electrons are evaluated to be 1x10^4 m/s and 0.786x10^4 m/s, both of which are lower than the Fermi velocity of the flat-band electrons in magic-angle graphene (4x10^4 m/s). Furthermore, 191-8-66-C-r567x-1 has been confirmed to be a flat-band related magnetic half-metal with a magnetic moment of 1.854 miuB per cell, while 191-10-90-C-r567x-1 is a flat-band related magnetic normal metal with a magnetic moment of 1.663 miuB per cell. These results not only show that flat-bands can be constructed in carbon monolayer, but also indicate the potential for achieving metal-free magnetic materials with light elements based on flat-band theory.