First-principles insights into half-metallic ferromagnetism, lattice dynamics, and thermoelectric performance of MgX 2 Se 4 (X=Ti, Mn) spinel chalcogenides | Synapse
February 12, 2026RSC Advances5 citationsOpen Access
First-principles insights into half-metallic ferromagnetism, lattice dynamics, and thermoelectric performance of MgX 2 Se 4 (X=Ti, Mn) spinel chalcogenides
The aim is to understand the relationships among crystal structure, electronic properties, and thermoelectric performance in MgX2Se4 chalcogenides.
Analyzed crystal structures of MgX2Se4 compounds
Investigated electronic states and optical absorption properties
Evaluated thermoelectric performance metrics
Identified key features associated with half-metallic ferromagnetism
Established connections between lattice dynamics and thermoelectric effectiveness
Proposed recommendations for material optimization based on findings
Abstract
Graphical abstract illustrating the link between crystal structure, electronic states, optical absorption, and thermoelectric performance in MgX 2 Se 4 .