We report a new phase in the binary SnS system, obtained as highly symmetric nanotetrahedra. Due to the nanoscale size and minute amounts of these particles in the synthesis yield, the structure was exclusively solved using electron diffraction methods. The atomic model of the new phase (a = 11.7 Å, P2(1)3) was deduced and found to be associated with the rocksalt-type structure. Kramers-Kronig analysis predicted different optical and electronic properties for the new phase, as compared to α-SnS.

We report on the synthesis of the newly discovered cubic phase of tin monosulfide π-SnS and compare its properties to the well-known phase of tin monosulfide, α-SnS.

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A new nanometric cubic binary phase of the tin mono-selenide system, π-SnSe, was obtained as cube shaped nanoparticles. Its structure and atomic positions were adopted from previously reported π-SnS (P2 1 3, a 0 = 11.7 Å). The proposed structure model of π-SnSe, with 64 atoms per unit cell, was refined against experimental X-ray diffraction using Rietveld method (a 0 = 11.9702(9) Å; R p = 1.65 R wp = 2.11). The optical properties of this new cubic SnSe phase were characterized by Raman and optical absorption spectroscopies. The optical band gap was assessed to be indirect, with E g = 1.28 eV (in the near infrared), compared to E g = 0.9 eV (indirect) and 1.3 eV (direct) for the conventional orthorhombic phase of α-SnSe. Raman spectroscopy indicated significant phonon restraining, which is likely to be beneficial for thermoelectric applications. Since the new cubic phase belongs to a class of non-centrosymmetric crystals, interesting and potentially useful properties may arise. Density functional theory calculations have been applied in order to validate phase stability and evaluate the energy bandgap. These results, together with the recently discovered cubic phase of π-SnS, confirm the existence of a new class of nanoscale materials in the tin chalcogenide system.

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