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First-order phase transition to a nonmagnetic ground state in nonsymmorphic NbCrP

Here, we report the discovery of a first-order phase transition at around 125 K in NbCrP, which is a nonsymmorphic crystal with the P n m a space group. From the resistivity, magnetic susceptibility, and nuclear magnetic resonance measurements using crystals made by the Sn-flux method, the high-temperature (HT) phase is characterized to be metallic with a non-negligible magnetic anisotropy. The low-temperature (LT) phase is also found to be a nonmagnetic metallic state with a crystal of lower symmetry. In the LT phase, the spin susceptibility is reduced by ~30 % from that in the HT phase, suggesting that the phase transition is triggered by the electronic instability. The possible origin of the phase transition in NbCrP is discussed based on the electronic structure by comparing it with those in other nonsymmorphic compounds, RuP and RuAs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Materials Data on NbCrP by Materials Project

NbCrP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 5-coordinate geometry to five equivalent P atoms. There are four shorter (2.61 Å) and one longer (2.71 Å) Nb–P bond lengths. Cr is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.33–2.42 Å. P is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Cr atoms.

36 MATERIALS SCIENCE↗