Theoretical Study of Structural and Electronics Properties of Lithium Niobate LiNbO3

Authors

Nadia Hadjila
Department of physic, LASICOM Laboratory, University of Blida 1, Algeria
Faiza Bouamra
Department of physic, LASICOM Laboratory, University of Blida 1
Michel Rérat
E2S UPPA, CNRS, IPREM, Université de Pau et des Pays de l’Adour, France

Synopsis

The main objective of this work is to study the structural and electronic properties of Lithium niobite in his ferroelectric phase. Calculations are released using the periodic LCAO-DFT-B3LYP approximation with the program CRYSTAL173. Analysis of band structure and density of state diagram shows that lithium niobate is an insulator.

ICCAP2021
Publication
Abstracts of 1st International Conference on Computational & Applied Physics
PDF
Published
March 8, 2022
Series
AIJR Abstracts
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