A hybrid density functional study of tensile-induced changes in phonon dispersion, electronic structure and optical absorption of bilayer BN for optoelectronic applications

A hybrid density functional study of tensile-induced changes in phonon dispersion, electronic structure and optical absorption of bilayer BN for optoelectronic applications

The electronic, phonon dispersion and optical properties of bilayer BN have been investigated with density functional theory (DFT) calculations. Interestingly, applying the biaxial strain of 4% converts the indirect band gap of bilayer BN to a direct band gap. We show that the interaction between th...

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Bibliographic Details
Main Authors: Somayeh Behzad, Raad Chegel
Format: Article
Language:English
Published: Elsevier 2024-04-01
Series:Results in Physics
Subjects:
Density functional theory
Bilayer BN
Phonon dispersion
Optical properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724002924

Internet

http://www.sciencedirect.com/science/article/pii/S2211379724002924

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