Spin-orbit-free Weyl-loop and Weyl-point semimetals in a stable three-dimensional carbon allotrope

TL;DR

This paper predicts a new class of Weyl semimetals made entirely of light elements like carbon, exhibiting Weyl loops and points without the need for strong spin-orbit coupling, based on first-principles calculations.

Contribution

It introduces a stable three-dimensional carbon allotrope that hosts Weyl physics without relying on spin-orbit coupling, expanding the scope of topological materials.

Findings

Carbon network exhibits Weyl loops with linear dispersion.

Breaking inversion symmetry creates Weyl points.

Surface states form Fermi arcs after symmetry breaking.

Abstract

Topological band theory has revolutionized our understanding of electronic structure of materials, in particular, a novel state - Weyl semimetal - has been predicted for systems with strong spin-orbit coupling (SOC). Here, a new class of Weyl semimetals, solely made of light elements with negligible SOC, is proposed. Our first-principles calculations show that conjugated p orbital interactions in a three-dimensional pure carbon network, termed interpenetrated graphene network, is sufficient to produce the same Weyl physics. This carbon allotrope has an exceptionally good structural stability. Its Fermi surface consists of two symmetry-protected Weyl loops with linear dispersion along perpendicular directions. Upon the breaking of inversion symmetry, each Weyl loop is reduced to a pair of Weyl points. The surface band of the network is nearly flat with a very large density of states at the Fermi level. It is reduced to Fermi arcs upon the symmetry breaking, as expected.