Recent experimental observations of Weyl fermions in materials opens a new frontier of condensed matter physics. Based on first-principles calculations, we here discover Weyl fermions in a two-dimensional layered electride material Y 2 C. We find that the Y 4d orbitals and the anionic s-like orbital confined in the interstitial spaces between [Y 2 C] 2+ cationic layers are hybridized to give rise to van Have singularities near the Fermi energy E F , which induce a ferromagnetic (FM) order via the Stoner-type instability. This FM phase with broken time-reversal symmetry hosts the rotation-symmetry protected Weyl nodal lines near E F , which are converted into the multiple pairs of Weyl nodes by including spin-orbit coupling (SOC). However, we reveal that, due to its small SOC effects, Y 2 C has a topologically nontrivial drumhead-like surface state near E F as well as a very small magnetic anisotropy energy with several µeV per unit cell, consistent with the observed surface state and paramagnetism at low temperatures below ∼2 K. Our findings propose that the Brillouin zone coordinates of Weyl fermions hidden in paramagnetic electride materials would fluctuate in momentum space with random orientations of the magnetization direction.
PACS numbers:As an emerging class of low-dimensional electron systems, electrides have attracted considerable attention because of their promising prospects in both fundamental research and technological applications [1][2][3][4]. In electrides, the looselybound electrons are easily separated from cationic atoms, thereby being trapped in void spaces along one-dimensional channels [5,6] or between two-dimensional (2D) interlayers [7,8]. Such low-dimensional anionic electrons occupying the bands near the Fermi level E F may provide unconventional playgrounds for exploration of various exotic quantum phenomena such as charge-density waves, spin ordering, superconductivity, and topological states [9][10][11][12]. Recently, Lee et al. demonstrated the synthesis of a layered electride material Ca 2 N, where the anionic electrons are distributed in the interlayer spaces between positively charged [Ca 2 N] + cationic layers [13]. After such a pioneering realization of 2D electride, extensive searches have been theoretically and experimentally carried out to find various types of 2D electride materials that offer the unique properties of high electrical conductivities [14], low work functions [15], highly anisotropic optical response [13], and efficient catalysts [16].Among several existing 2D layered electrides, Y 2 C containing two Y atoms and one C atom within the rhombohedral primitive unit cell [see Fig. 1(a)] shows a semimetallic feature with the electron and hole pockets near E F [17]. Despite the recent intensive studies of Y 2 C [17][18][19][20][21][22][23][24][25][26], there still remains a strong discrepancy for its ground state between the experimental measurements [17][18][19][20][21][22] and theoretical predictions [23][24][25][26]. According to experiments [18,19], Y 2 C exhibit...