Topological Nodal Line Electrides: Realization of Ideal Nodal Line State Nearly Immune from Spin-Orbit Coupling

Abstract

Nodal line semimetals (NLSs) have attracted broad interest in current research. In most of existing NLSs, the intrinsic properties of nodal lines are greatly destroyed because nodal lines usually suffer sizable gaps induced by non-negligible spin-orbit coupling (SOC). In this work,we propose the topological nodal line electrides (TNLEs), which achieve electronic structures of nodal lines and electrides simultaneously, provide new insight on designing excellent NLSs nearly immune from SOC. Since the states near the Fermi level are most contributed by nonnucleus-bounded interstitial electrons, nodal lines in TNLEs manifest extremely small SOCinduced gap even possessing heavy elements. Especially, we propose the family of A2B (A = Ca, Sr, Ba; B= As, Sb, Bi) materials are realistic TNLEs with negligible SOC-induced gaps, which can play as excellent platforms to study the intrinsic properties of TNLEs

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• Magnetic Electrides: High-Throughput Material Screening, Intriguing Properties, and Applications
• Ferromagnetic Weyl Fermions in Two-Dimensional Layered Electride Gd${}_2$C
• Application of topological quantum chemistry in electrides
• Giant nonlinear response due to unconventional oscillation in Nodal-line semimetals
• First-Principles Design of Halide-Reduced Electrides: Magnetism and Topological Phases
• Sign reversal of magnetoresistivity in massive nodal-line semimetals due to Lifshitz transition of Fermi surface