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Updated: Jun 14, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Validated band model for the NO fundamental
Abstract:
A previously reported transmission model for the 5.3-microm band of NO, whose defining parameters had been developed with line-by-line calculated spectra, is now presented in validated and upgraded form through the use of measured transmittance data. The model consists of a double-exponential function, which approximates homogeneous-path transmittance at 5-cm(-1) intervals with a sepctral resolution of 20 cm(-1). The use of the proposed model parameters in transmittance calculations yielded an average standard deviation of 0.28% and an overall maximum deviation of 1.48% from the measured transmittance data. This compares favorably with the results obtained with the use of the previous parameters to predict the measurements, which resulted in an average deviation of 1.05% and overall maximum transmittance deviation of 4.94%.
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