A Predictive Model to Guide Experimental Identification of Stacking in Two-Dimensional Materials

A Predictive Model to Guide Experimental Identification of Stacking in Two-Dimensional Materials

Scientific Achievement

A simple model explains and predicts the dependence of low-frequency Raman scattering on complex stacking sequences in two-dimensional materials.

Predicted low-frequency Raman scattering of 2D materials for different stacking configurations at different thickness based on the interlayer bond polarizability model (hi-res image)

Significance and Impact

The model forms a complete road map of low-frequency Raman signatures of stacking configurations and thickness dependence in 2D materials; a key to effective characterization and control. 

Research Details

- A mathematical, interlayer bond polarizability model was developed and successfully applied for a broad class of low-D materials.
- DFT and experiments validate the model.
 
L. Liang, A. A. Puretzky, B. G. Sumpter, V. Meunier, “Interlayer bond polarizability model for stacking-dependent low-frequency Raman scattering in layered materials,”  Nanoscale, accepted for publication (2017).  DOI: 10.1039/C7NR05839J
 

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