A DFT+U study on the thermodynamic properties of defective Gd2Zr2O7 pyrochlore
Menglu Li, Pengcheng Li, Haiyan Xiao, Haibin Zhang, Xiaotao Zu
Topics & Concepts
PyrochloreMaterials scienceDuctility (Earth science)Density functional theoryThermal expansionCrystallographic defectVacancy defectCondensed matter physicsThermodynamicsThermalIrradiationComposite materialComputational chemistryChemistryPhysicsCreepNuclear physicsPhase (matter)Organic chemistryNuclear materials and radiation effectsNuclear Materials and PropertiesAdvanced Condensed Matter Physics