Litcius/Paper detail

Spatially Resolved Band Gap and Dielectric Function in Two-Dimensional Materials from Electron Energy Loss Spectroscopy

Abel Brokkelkamp, Jaco ter Hoeve, Isabel Postmes, Sabrya E. van Heijst, Louis Maduro, Albert V. Davydov, Sergiy Krylyuk, Juan Rojo, Sonia Conesa‐Boj

2022The Journal of Physical Chemistry A18 citationsDOIOpen Access PDF

Abstract

The electronic properties of two-dimensional (2D) materials depend sensitively on the underlying atomic arrangement down to the monolayer level. Here we present a novel strategy for the determination of the band gap and complex dielectric function in 2D materials achieving a spatial resolution down to a few nanometers. This approach is based on machine learning techniques developed in particle physics and makes possible the automated processing and interpretation of spectral images from electron energy loss spectroscopy (EELS). Individual spectra are classified as a function of the thickness with K-means clustering, and then used to train a deep-learning model of the zero-loss peak background. As a proof of concept we assess the band gap and dielectric function of InSe flakes and polytypic WS2 nanoflowers and correlate these electrical properties with the local thickness. Our flexible approach is generalizable to other nanostructured materials and to higher-dimensional spectroscopies and is made available as a new release of the open-source EELSfitter framework.

Topics & Concepts

Electron energy loss spectroscopyBand gapSpectroscopyDielectricMaterials scienceElectronSpectral lineDielectric functionComputational physicsResolution (logic)OptoelectronicsMolecular physicsOpticsPhysicsComputer scienceArtificial intelligenceQuantum mechanicsMachine Learning in Materials Science2D Materials and ApplicationsElectronic and Structural Properties of Oxides