R. M. Alghanmi

First-principles insights into double perovskite fluorides for energy harvesting applications

The DFT calculations utilizing the FP-LAPW approach were conducted for a detailed study of structural, electronic, optical, elastic, and thermoelectric properties of cubic K2TiHgF6 and Na2TiHgF6 Heusler fluorides. It was found that both materials have a cubic crystal structure of type Fm3̄m and display negative values...