Revealing the remarkable structural, electronic, elastic, and optical properties of Zn-based fluoropervskite ZnXF3 (x = Sr, Ba) employing DFT
Wasi Ullah, Rafia Nasir, Mudasser Husain, Nasir Rahman, Hamid Ullah, Nourreddine Sfina, Muawya Elhadi, Azzouz Ahmed Rached, Amin ur Rashid, Q. Humayun, Vineet Tirth, Afraa Alotaibi, Akhlaq Hussain
Topics & Concepts
Density functional theoryMaterials scienceContext (archaeology)Lattice constantStructural stabilityElectronic structureDiffractionNanotechnologyCondensed matter physicsComputational chemistryPhysicsChemistryOpticsEngineeringStructural engineeringBiologyPaleontologyHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity