Different exchangecorrelationpotentialapproximationsareusedtoexamineelectronic,optical,and<br />
thermoelectric propertiesof XNMg3(X¼P,As,Sb,andBi)antiperovskitecompounds.Bandstructuresof<br />
the compoundsaredirectinnature.Withinahigh-energyrange(2–6 eV),thesematerialsexhibit<br />
maximum levelsofopticalconductivity,andthesematerialsmaythereforebeusedinradiationdetectors<br />
and solarcells.Opticalpropertiessuchasdielectricfunction,opticalconductivity,reflectivity,refractive<br />