Results for “MnCoP” | Engineering Papers

DOE OSTI2020

Materials Data on MnCoP by Materials Project

CoMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent P3- atoms to form distorted MnP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Mn–P bond distances ranging from 2.41–2.52 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.19–2.25 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Tuning the Structural and Magnetic Properties in Mixed Cation Mn x Co 2– x P 2 S 6

The metal thiophosphates (MTP), M 2 P 2 S 6, are a versatile class of van der Waals materials, which are notable for the possibility of tuning their magnetic properties with the incorporation of different transition-metal cations. Further, they also offer opportunities to probe the independent and synergistic role of the magnetically active cation sublattice when coupled to P 2 Q 6 polyhedra. Herein, we report the structural, magnetic, and electronic properties of the series of MTPs, Mn x Co 2– x P 2 S 6 ( x = 0.25, 0.5, 1, 1.5, 1.75) synthesized by the P 2 S 5 flux method. In this work, structural and elemental analysis indicates a homogeneous stoichiometry in the Mn x Co 2– x P 2 S 6 compounds. We observe that a correlation is apparent between the intensities of specific Raman modes and Raman shifts with respect to the alloying ratio between Mn and Co. Magnetic susceptibility measurements indicate that the alloyed systems adopt an ordered antiferromagnetic (AFM) configuration with a dependence of the Néel temperature on the alloying ratio. A possible magnetic frustration behavior was observed for the composition MnCoP 2 S 6 due to magnetic moment compensation as the alloying ratio between Mn and Co approaches parity. Interestingly, mixed oxidation states of the metal cation species are also observed in Mn x Co 2– x P 2 S 6 along with a linear dependence of the work function on the alloying ratio of Mn and Co.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗