First-principles study of structural, electronic, mechanical, optical, thermodynamic and thermoelectric properties of ternary ZnSnN2 and ZnMoN2 nitrides
G. Murtaza, Muhammad Haseeb, Athar Javed, Muhammad Rafiq, Muhammad Nasir Rasul, Altaf Hussain
Topics & Concepts
Materials scienceThermoelectric effectNitrideTernary operationWIEN2kBand gapThermoelectric materialsOptoelectronicsElectronic structureCondensed matter physicsThermodynamicsNanotechnologyComposite materialThermal conductivityLocal-density approximationPhysicsProgramming languageComputer scienceLayer (electronics)MXene and MAX Phase MaterialsMachine Learning in Materials ScienceInorganic Chemistry and Materials