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Spectroscopic properties of few-layer tin chalcogenides
2019
Journal of Physics Materials
Stable structures of layered SnS and SnSe and their associated electronic and vibrational spectra are predicted using first-principles DFT calculations. The calculations show that both materials undergo a phase transformation upon thinning whereby the in-plane lattice parameters ratio a/b converges towards 1, similar to the high-temperature behaviour observed for their bulk counterparts. The electronic properties of layered SnS and SnSe evolve to an almost symmetric dispersion whilst the gap
doi:10.1088/2515-7639/ab3513
fatcat:yukctwyuv5hhxgbbdpfngbtvka