Pseudo Dirac nodal sphere semimetal

Abstract

Topological semimetals (TSMs) in which conduction and valence bands cross at zero-dimensional (0D) Dirac nodal points (DNPs) or 1D Dirac nodal lines (DNLs), in 3D momentum space, have recently drawn much attention due to their exotic electronic properties. Here, we generalize the TSM state further to a higher-dimensional Dirac nodal sphere (DNS) or pseudo DNS (PDNS) state, with the band crossings forming a 2D closed or approximate sphere at the Fermi level. This TSM state can exhibit unique electronic properties, making DNS/PDNS a type of fermion beyond the DNP/DNL paradigm. In realistic crystals, we demonstrate two possible types of PDNS states underlain by different crystalline symmetries, which are characterized with a spherical backbone consisting of multiple DNLs and approximate band degeneracy in between the DNLs. We identify all the possible band crossings with pairs of 1D irreducible representations to form the PDNS states in 32 point groups. Importantly, we discover that strained $M{\mathrm{H}}_{3}$ ($M=\text{Y}$, Ho, Tb, Nd) and ${\mathrm{Si}}_{3}{\mathrm{N}}_{2}$ are material candidates to realize these two types of PDNS states, respectively. As a high-symmetry-required state, the PDNS semimetal can be regarded as the ``parent phase'' for other topological gapped and gapless states.