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American Chemical Society, ACS Nano, 2(10), p. 1738-1743, 2015

DOI: 10.1021/acsnano.5b05927

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Weak Van der Waals Stacking, Wide-Range Band Gap, and Raman Study on Ultrathin Layers of Metal Phosphorus Trichalcogenides

This paper is available in a repository.
This paper is available in a repository.

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Abstract

2D semiconducting metal phosphorus trichalcogenides, particularly the bulk crystals of MPS3 (M = Fe, Mn, Ni, Cd and Zn) sulfides and MPSe3 (M = Fe and Mn) selenides, have been synthesized, crystallized and exfoliated into monolayer. The Raman spectra of monolayer FePS3 and 3-layer FePSe3 show the strong intra-layer vibrations and structure stability of the atomically thin layers in ambient condition. The band gaps can be adjusted by element choices in the range of 1.3~3.5 eV. The wide-range band gaps suggest their optoelectronic applications in broad wavelength range. The calculated cleavage energies of MPS3 are smaller than that of graphite. Therefore, the monolayers used for building of heterostructures by Van der Waals stacking, could be considered as the novel candidates for artificial 2D materials with unusual ferroelectric and magnetic properties.