High-Pressure Synthesis of a Massive and Non-Symmorphic Dirac Semimetal Candidate MoP$_4$

Abstract

Single crystal and polycrystalline samples of MoP$_4$ with a black-phosphorus-derived structure have been successfully synthesized by a high-pressure technique. The polycrystalline samples show a large positive magnetoresistance and a small negative Seebeck coefficient at low temperatures, reflecting a semi-metallic nature with high-mobility electrons. Consistent with the transport properties, the band structure calculation reveals a semi-metallic state with the presence of two types of Dirac nodes slightly below the Fermi level. The Dirac node along the $\Gamma$-X direction normal to the phosphorus layers is gapped out in the presence of spin-orbit coupling (SOC), whereas the band crossing at the Z-point is immune to SOC because of the non-symmorphic symmetry. This work demonstrates a great potential of phosphorus-based layered Zintl compounds for topological semimetal candidates allowing chemical band engineering.