The effect of PBEsol GGA and mBJ potentials on the structural, electronic, optical, elastic and thermoelectric properties of A2BAuI6 (A = K or Rb or Cs, B = Sc or Y)
Nabeel Israr, Muhammad Awais Jehangir, Ammar M. Tighezza, S. Khan, G. Murtaza, Muhammad Saeed
Topics & Concepts
Materials scienceThermoelectric effectCondensed matter physicsCrystallographyOptoelectronicsThermodynamicsPhysicsChemistryPerovskite Materials and ApplicationsInorganic Chemistry and MaterialsAdvanced Thermoelectric Materials and Devices