Comprehensive study on the origin of orthorhombic phase stabilization in Gd-doped HfO<sub>2</sub> and DFT calculations
D. Banerjee, C.C. Dey, Ravi Kumar, Brindaban Modak, Snehamoyee Hazra, Subarna Datta, B. Ghosh, S. V. Thakare, S. N. Jha, D. Bhattacharyya
Abstract
The grain size of HfO 2 is reduced from ∼50 nm to ∼25 nm by a Gd-dopant (1–5 at%) with concomitant stabilization of the orthorhombic phase over the monoclinic phase.
Topics & Concepts
Orthorhombic crystal systemDopantMaterials scienceMonoclinic crystal systemDensity functional theoryXANESRietveld refinementAnalytical Chemistry (journal)CrystallitePhase (matter)Extended X-ray absorption fine structureCrystallographyDopingAbsorption spectroscopyChemistryCrystal structureSpectroscopyComputational chemistryOpticsChromatographyOrganic chemistryQuantum mechanicsOptoelectronicsPhysicsFerroelectric and Negative Capacitance DevicesSemiconductor materials and devicesMXene and MAX Phase Materials