Electronic, optical and elastic properties of cubic zirconia (c-ZrO2) under pressure: A DFT study
Muhammad Azhar Nazir, Tariq Mahmood, Abrar Ahmad Zafar, Naeem Akhtar, T. Hussain, M. A. Saeed, Fazal-e Aleem, A. Saeed, Jafar Raza, Chuanbao Cao
Topics & Concepts
Materials scienceDensity functional theoryBand gapHydrostatic pressureRefractive indexLocal-density approximationCondensed matter physicsDuctility (Earth science)Direct and indirect band gapsElectronic structureElasticity (physics)ThermodynamicsComputational chemistryComposite materialChemistryPhysicsOptoelectronicsCreepMXene and MAX Phase MaterialsInorganic Chemistry and MaterialsBoron and Carbon Nanomaterials Research