Influence of heavy Hf doping in CeO2: Prediction on various physical properties

Influence of heavy Hf doping in CeO2: Prediction on various physical properties

This work employs density functional theory for calculating the structural, mechanical, anisotropic, thermal, electronic, and optical properties of Ce1-xHfxO2 (x = 0, 0.25, 0.5, and 0.75) to explore the heavy substitutional doping effects of Hf. The cubic phase of CeO2 is transformed to tetragonal w...

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Bibliographic Details
Main Authors: Khandaker Monower Hossain, Sujon Kumar Mitro, Samina Afrin Moon, M. Mozahar Ali, Sumal Chandra, M. Anwar Hossain
Format: Article
Language:English
Published: Elsevier 2022-06-01
Series:Results in Physics
Subjects:
DFT method
Mechanical properties
Anisotropy
Thermal properties
Optical properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379722002935

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http://www.sciencedirect.com/science/article/pii/S2211379722002935

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