Comprehensive study on the origin of orthorhombic phase stabilization in Gd-doped HfO2 and DFT calculations

In recent times, ultra-thin films of hafnium oxide (HfO2) have shown ferroelectricity (FE) attributed to the orthorhombic (o) phase of HfO2 with space group Pca21. This polar o-phase could be stabilized in the doped thin film of the oxide. In the present work, both polar and non-polar o-phases of Hf...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2023-08, Vol.25 (32), p.21479-21491
Hauptverfasser:	Banerjee, D, Dey, C C, Kumar, Ravi, Modak, Brindaban, Hazra, Snehamoyee, Datta, Subarna, Ghosh, Barnali, Thakare, S V, Jha, S N, Bhattacharyya, D
Format:	Artikel
Sprache:	eng
Schlagworte:	Angular correlation Crystal defects Density functional theory Dopants Drag Electron microscopy Ferroelectricity Field emission microscopy Fine structure Free energy Gadolinium Grain boundaries Grain size Hafnium oxide Heat of formation Mathematical analysis Microscopy Nucleation Orthorhombic phase Stabilization Synchrotrons Thin films X ray absorption
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