Quantifying defect levels in hexagonal boron nitride from simulated x-ray absorption spectroscopy

ORAL

Abstract

X-ray Absorption Spectroscopy is a technique that is highly sensitive to the local structural and chemical environment of the probed species. This quality can be exploited to investigate the characteristics of localized structural imperfections such as point defects and grain boundaries. In this study the X-ray absorption spectra for various hexagonal ($h$-BN) and amorphous boron nitride ($a$-BN) samples have been recorded. Simulation of X-ray absorption spectra from first principles allows for characteristic features in the measured spectra to be attributed to local defects of the planar hexagonal structure of the material. Analysis of the relative intensities of these features can subsequently provide a quantitative analysis of the levels of various defects in the analyzed structure.

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Authors

  • Sebastiaan Huber

    Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, United States

  • Robbert van de Kruijs

    Industrial Focus Group XUV Optics, MESA+ Research Institute for Nanotechnology, University of Twente, The Netherlands

  • Fred Bijkerk

    Industrial Focus Group XUV Optics, MESA+ Research Institute for Nanotechnology, University of Twente, The Netherlands

  • Eric Gullikson

    Center for X-Ray Optics, Lawrence Berkeley National Laboratory, Berkeley, United States

  • David Prendergast

    Lawrence Berkeley National Lab, Joint Center for Energy Storage Research, The Molecular Foundry, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory (LBNL), Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, United States, Lawrence Berkeley Natl Lab