Abstract:The tin monochalcogenides SnS and SnSe adopt four different crystal structures, <i>viz.</i> orthorhombic <i>Pnma</i> and <i>Cmcm</i> and cubic rocksalt and π-cubic (P2<sub>1</sub>3) phases, each of which has optimal properties for a range of potential applications. This rich phase space makes it challenging to identify the conditions under which the different phases are obtained. We have performed first-principles quasi-harmonic lattice-dynamics calculations to a… Show more
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