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Title: Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride

 [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Electrical and Computer Engineering, Texas Tech University, Lubbock, Texas 79409, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
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Journal Article: Publisher's Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 111; Journal Issue: 13; Related Information: CHORUS Timestamp: 2018-02-15 01:09:28; Journal ID: ISSN 0003-6951
American Institute of Physics
Country of Publication:
United States

Citation Formats

Du, X. Z., Li, J., Lin, J. Y., and Jiang, H. X.. Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride. United States: N. p., 2017. Web. doi:10.1063/1.4994070.
Du, X. Z., Li, J., Lin, J. Y., & Jiang, H. X.. Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride. United States. doi:10.1063/1.4994070.
Du, X. Z., Li, J., Lin, J. Y., and Jiang, H. X.. 2017. "Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride". United States. doi:10.1063/1.4994070.
title = {Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride},
author = {Du, X. Z. and Li, J. and Lin, J. Y. and Jiang, H. X.},
abstractNote = {},
doi = {10.1063/1.4994070},
journal = {Applied Physics Letters},
number = 13,
volume = 111,
place = {United States},
year = 2017,
month = 9

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 28, 2018
Publisher's Accepted Manuscript

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  • Hexagonal boron nitride (hBN) is an emerging material for the exploration of new physics in two-dimensional (2D) systems that are complementary to graphene. Nanotubes with a diameter (∼60 nm) that is much larger than the exciton binding energy in hBN have been synthesized and utilized to probe the fundamental optical transitions and the temperature dependence of the energy bandgap of the corresponding 2D hBN sheets. An excitonic transition at 5.901 eV and its longitudinal optical phonon replica at 5.735 eV were observed. The excitonic emission line is blue shifted by about 130 meV with respect to that in hBN bulk crystals due to themore » effects of reduced dimensionality. The temperature evolution of the excitonic emission line measured from 300 to 800 K revealed that the temperature coefficient of the energy bandgap of hBN nanotubes with large diameters (or equivalently hBN sheets) is about 0.43 meV/{sup 0}K, which is a factor of about 5 times smaller than the theoretically predicted value for the transitions between the π and π* bands in hBN bulk crystals and 6 times smaller than the measured value in AlN epilayers with a comparable energy bandgap. The observed weaker temperature dependence of the bandgap than those in 3D hBN and AlN is a consequence of the effects of reduced dimensionality in layer-structured hBN.« less
  • Using anisotropic elasticity theory, we analyze the relative thermodynamic stabilities of strained graphitic (hexagonal) BN and cubic BN (cBN) single-crystal structures for all orientations of biaxial stress and strain fields relative to the crystallographic directions. In hBN, the most thermodynamically stable orientation has the graphitic basal planes oriented roughly 45{degree} relative to either the plane of stress or strain. For cBN, the lowest-energy configuration differs for the constant stress or constant strain assumptions. Importantly, these most-stable orientations of hBN and cBN differ from those found experimentally for graphitic BN and cBN in polycrystalline BN films produced by energetic deposition processes.more » Therefore, the observed textures are not those that minimize elastic strain energy. We discuss possible origins other than elastic strain{endash}energy effects for the observed textures. {copyright} {ital 1997 American Vacuum Society.}« less
  • Few-layer rippled hexagonal boron nitride (h- BN) membranes were processed with hydrogen plasma, which exhibit distinct and pronounced changes in its electronic properties after the plasma treatment. The bandgaps of the h- BN membrane reduced from 5.6 eV at 0 s to 4.25 eV at 250s, which is a signature of transition from the insulating to the semiconductive regime. It typically required 250 s of plasma treatment to reach the saturation. It illustrates that twodimensional material with engineered electronic properties can be created by attaching other atoms or molecules.
  • A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture well the binding and lateral sliding energies of planar h-BN based dimer systems as well as the interlayer telescoping and rotation of double walled boron-nitride nanotubes of different crystallographic orientations. The new potential thus allows for the accurate and efficient modeling and simulation of large-scale h-BN based layered structures.