The Effect of Y Doping on Monoclinic, Orthorhombic, and Cubic Polymorphs of HfO<sub>2</sub>: A First Principles Study

The Effect of Y Doping on Monoclinic, Orthorhombic, and Cubic Polymorphs of HfO<sub>2</sub>: A First Principles Study

HfO<sub>2</sub> can assume different crystalline structures, such as monoclinic, orthorhombic, and cubic polymorphs, each one characterized by unical properties. The peculiarities of this material are also strongly related to the presence of doping elements in the unit cell. Thus, the pr...

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Bibliographic Details
Main Authors: Eleonora Pavoni, Elaheh Mohebbi, Davide Mencarelli, Pierluigi Stipa, Emiliano Laudadio, Luca Pierantoni
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Nanomaterials
Subjects:
HfO<sub>2</sub>
Yttrium doping
DFT
Ab-initio
polymorphs
Online Access:https://www.mdpi.com/2079-4991/12/23/4324

Internet

https://www.mdpi.com/2079-4991/12/23/4324

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