Electronic, opticalandthermoelectricpropertiesof XNMg3 (X¼P,As, Sb, Bi)compounds

Journal Article

g, Abdul Basit a, SaleemAyazKhan b, G.Murtaza c,n, AsifMehmood d, R.Khenata e, S. BinOmran f, M.Yaseen . 2016

• رابط المنشور على الويب: http://www.sciencedirect.com/science/article/pii/S1369800115302602
• رقم الإصدار السنوي: 43
• الصفحات: 69-74

مستخلص المنشور

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 />
indices andabsorptioncoefficients varyintransitionsfromPtoBi.Furthermore,calculatedpeaksof<br />
conductivity andabsorptioncoefficient valuesdecreasewithincreasingphotonenergy.Withrespectto<br />
thermoelectric properties,electricalconductivity,Seebeckcoefficient andthermalconductivitylevels<br />
varywithincreaseintemperature,thusresultingintheformationofthermoelectricmaterials.