Unveiling a New Generation of Orthorhombic Zintl Compounds K2XCdY2 (X= Ca, Ba; Y= Sb, Bi) for Advanced Thermoelectric and Optical Applications: A First-Principles Study | Synapse
March 3, 2026
Unveiling a New Generation of Orthorhombic Zintl Compounds K2XCdY2 (X= Ca, Ba; Y= Sb, Bi) for Advanced Thermoelectric and Optical Applications: A First-Principles Study
Key Points
Enhanced thermoelectric performance is observed in the new compounds K2XCdY2, particularly for X= Ca, Ba and Y= Sb, Bi.
This performance uplift includes improved electrical conductivity and Seebeck coefficient metrics, indicating promising efficiency.
The analysis employs first-principles calculations to assess material properties and potential applications in energy conversion.
These findings highlight the potential for Zintl compounds in advanced thermoelectric and optical technologies, supporting renewable energy solutions.