First principle investigation of tungsten based cubic oxide perovskite materials for superconducting applications: A DFT study
Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Umair Farooq, Arfan Abdullah, Ghulam Abbas Ashraf, Muhammad Riaz, Syed Mansoor Ali
Topics & Concepts
CASTEPDensity functional theoryDebye modelBand gapIonic bondingPerovskite (structure)Materials scienceElectronic band structureLocal-density approximationFermi levelDebyeCondensed matter physicsChemistryThermodynamicsComputational chemistryCrystallographyElectronPhysicsOptoelectronicsIonQuantum mechanicsOrganic chemistryThermal Expansion and Ionic ConductivityPerovskite Materials and ApplicationsMagnetic and transport properties of perovskites and related materials