Influence of vacancies on the dielectric characteristics of the hexagonal boron nitride lattice: theoretical study

This research work focuses on analyzing of the influence of vacancies on the dielectric characteristics of the Hexagonal Boron Nitride lattice using Monte Carlo simulations. The investigation focuses on the thermal polarizations and dielectric susceptibilities and finally hysteresis cycles under the...

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Bibliographic Details
Published in:Journal of materials science 2023-07, Vol.58 (28), p.11711-11722
Main Authors: Fadil, Z., Raorane, Chaitany Jayprakash, Fdil, R. El, Karam, Steve, El-marghany, Adel, Rosaiah, P., Nguyen, Tan N., Kim, Seong Cheol
Format: Article
Language:English
Subjects:
Analysis
Boron
Boron nitride
Characterization and Evaluation of Materials
Chemistry and Materials Science
Classical Mechanics
Computation & Theory
Crystallography and Scattering Methods
Design optimization
Dielectric properties
Dielectrics
Engineering
Graphene
Heat conductivity
Influence
Lattice vacancies
Materials Science
Monte Carlo method
Point defects
Polarization
Polymer Sciences
Research methodology
Science
Simulation
Solid Mechanics
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Summary:This research work focuses on analyzing of the influence of vacancies on the dielectric characteristics of the Hexagonal Boron Nitride lattice using Monte Carlo simulations. The investigation focuses on the thermal polarizations and dielectric susceptibilities and finally hysteresis cycles under the effect of vacancies. The results reveal that vacancies on σ-atoms (V σ ) and S-atoms (V S ) significantly affect the blocking temperature (T B ), remanent polarization (P r ), and saturation polarization (P sat ). These findings can contribute to a deeper understanding of the relationship between vacancies and dielectric behavior, and have potential implications in the design and optimization of materials with desired properties for various applications.
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-023-08739-2