مشخصات پژوهش

عنوان	A hybrid density functional study of tensile-induced changes in phonon dispersion, electronic structure and optical absorption of bilayer BN for optoelectronic applications
نوع پژوهش	مقاله چاپ‌شده در مجله
کلیدواژه‌ها	Density functional theory, Bilayer BN, Phonon dispersion, Optical properties
چکیده	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 the BN layers results in the removal of two-fold degeneracy and separation of ZA and ZO phonon modes near the Γ point. Across the entire range of applied biaxial tensile strains, the bilayer BN exhibits a dynamically stable behavior. The phonon bandgap of bilayer BN decreases under tensile strain. The bilayer BN has strong adsorption in the UV region and the optical absorption peaks are red-shifted by applying the tensile strain. These findings are essential for the strain engineering of bilayer BN and future fabrication of flexible electronic and optoelectronic devices.
پژوهشگران	سمیه بهزاد (نفر اول)، رعد چگل (نفر دوم)