Engineered cation vacancy plane responsible for the reduction in lattice thermal conductivity and improvement in the thermoelectric property of Ga2Te3-based semiconductors

摘要: Based on the inherent Ga vacancies in Ga2Te3, we use preferential occupation of Cu lattice, which can be confirmed by calculating formation energy and Rietveld refinement, to disturb vacancy path, thereby have cleverly manipulated plane. Moreover, revealed that sample annealed for 30 days has generated raindrop-shaped discontinuous planes, effectively reduce lattice thermal conductivity (kL) increase bandgap (Eg), thus accounting remarkable improvement thermoelectric performance. However, with annealing time extending from 95 days, there is a gradual enhancement kL limited property, caused amalgamation or restructuring planes.