Phase stability of the tin monochalcogenides SnS and SnSe: a quasi-harmonic lattice-dynamics study
Ioanna Pallikara, Jonathan M. Skelton
Abstract
phase, and the relationships between the cubic phases are found by transition-state modelling using the climbing-image nudged elastic-band method.
Topics & Concepts
Orthorhombic crystal systemPhononCondensed matter physicsHelmholtz free energyMaterials scienceLattice (music)Crystal structureThermodynamicsPhysicsChemistryCrystallographyAcousticsChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and DevicesPerovskite Materials and Applications