Ferromagnetic Weyl Fermions in Two-Dimensional Layered Electride Gd2C

Abstract

Recently, two-dimensional layered electrides have emerged as a new class of materials which possess anionic electrons in the interstitial spaces between cationic layers. Here, based on first-principles calculations, we discover a time-reversal-symmetry-breaking Weyl semimetal phase in a unique two-dimensional layered ferromagnetic (FM) electride Gd2C. It is revealed that the crystal field mixes the interstitial electron states and Gd-5d orbitals near the Fermi energy to form band inversions. Meanwhile, the FM order induces two spinful Weyl nodal lines (WNLs), which are converted into multiple pairs of Weyl nodes through spin-orbit coupling. Further, we not only identify Fermi-arc surface states connecting the Weyl nodes but also predict a large intrinsic anomalous Hall conductivity due to the Berry curvature produced by the gapped WNLs. Our findings demonstrate the existence of Weyl fermions in the room-temperature FM electride Gd2C, therefore offering a new platform to investigate the intriguing interplay between electride materials and magnetic Weyl physics.