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Updated: Jul 25, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
High-Resolution Study of the nnu(2), n = 1, 2, 3, Vib-Rotational Bands of D(2)Se
1Laboratory of Molecular Spectroscopy, Tomsk State University, Tomsk, 634050, Russia
Abstract:
High-resolution Fourier transform spectra of the D(2)(M)Se with M = 76, 77, 78, 80, and 82 in the regions of the first and second bending overtones 2nu(2) and 3nu(2) near 1480 and 2210 cm(-1), respectively, were recorded for the first time and assigned. On the basis of these experimental data, rotation-vibration energies were determined and fitted together with those of the (010) state reported earlier (W. Jerembeck, H. Bürger, J.-M. Flaud, and Ph. Arcas, J. Mol. Spectrosc. 197, 215-221 (1999)) by using the "Global Fit" procedure. The obtained set of 43 fitted parameters for these three vibrational states of the D(2)(80)Se species (altogether 86 fitted parameters for 12 states of five M species) reproduces the rotation-vibration energies of all studied states with accuracies close to experimental uncertainties. Copyright 2000 Academic Press.
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