In this study, one-dimensional nanoribbons of single-layer manganese phosphorus trisulfide (${\mathrm{MnPS}}_3$) are investigated using density functional theory based calculations, complemented by experimental Raman spectroscopy measurements. Cutting the ${\mathrm{MnPS}}_3$ single layers along the high-symmetry crystallographic directions yields the formation of four possible nanoribbon types: Mn-Mn-, P-P-, and Mn-P-edged armchair and a zigzag-edged one. Structural analyses reveal clear edge- and width-dependent reconstructions in armchair nanoribbons: S-S dimerization emerges selectively at Mn-terminated edges (odd-width Mn-Mn and Mn-P nanoribbons with even Mn rows), while tilted P-P dumbbells consistently form at all P-terminated edges across the entire width range. The edge reconstructions are directly observable in scanning tunneling microscopy images. Magnetically, armchair nanoribbons stabilize either Néel or dimerized Néel antiferromagnetic order, depending on the formation of S-S dimers at Mn-terminated edges, whereas zigzag nanoribbons generally favor a ferromagnetic configuration, with the exception of the two narrowest cases. Electronic band dispersion calculations show that all armchair nanoribbons exhibit semiconducting behavior, whereas all zigzag nanoribbons are metallic, except for the two narrowest ones. In armchair nanoribbons, S-S dimerization at Mn-terminated edges reduces the band gap relative to nondimerized ribbons, whereas in nondimerized ribbons the band gap increases with width. Frequency-dependent Raman activity calculations reveal the presence of characteristic vibrational modes—originating from S-S dimers, S-P bonds, and nondimerized S atoms—that serve as fingerprint signatures of the edge type of ${\mathrm{MnPS}}_3$ nanoribbons. Overall, these results demonstrate that the electronic, magnetic, and vibrational properties of ${\mathrm{MnPS}}_3$ nanoribbons are strongly governed by edge geometry and ribbon width, highlighting their potential for edge-engineered low-dimensional spintronic and nanoelectronic applications.

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• Phonons
• Monolayer films
• Nanowires
• Density functional calculations
• Raman spectroscopy