Calculated phonon modes, infrared and Raman spectra in orthorhombic α − MoO3 and monolayer MoO3

@article{Ratnaparkhe2021CalculatedPM,
  title={Calculated phonon modes, infrared and Raman spectra in orthorhombic $\alpha$ − MoO3 and monolayer MoO3},
  author={Amol Ratnaparkhe and Santosh Kumar Radha and Walter R. L. Lambrecht},
  journal={Journal of Applied Physics},
  year={2021}
}
Orthorhombic α-MoO3 is a layered oxide with various applications and with excellent potential to be exfoliated as a 2D ultra-thin film or monolayer. In this paper, we present a first-principles computational study of its vibrational properties. Our focus is on the zone center modes which can be measured by a combination of infrared and Raman spectroscopy. The polarization dependent spectra are simulated. Calculations are also performed for a monolayer form in which “double layers” of Mo2O6… 
1 Citations
Ultrathin 2D-oxides: A perspective on fabrication, structure, defect, transport, electron, and phonon properties
In the field of atomically thin 2D materials, oxides are relatively unexplored in spite of the large number of layered oxide structures amenable to exfoliation. There is an increasing interest in

References

SHOWING 1-10 OF 45 REFERENCES
145 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
Received 4 February 2005; revision requested 28 March 2005; revision received 11 April 2005; accepted 11 April 2005. Sinonasal disease is a serious health problem commonly observed in the society.
Phys
  • Rev. B 89, 045109
  • 2014
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S0 D2CO, extending from low to very high excess vibrational
Phys
  • Rev. B 55, 10355
  • 1997
Physica B+C 105
  • 370
  • 1981
Phys
  • Rev. B 84, 155413
  • 2011
and F
  • Jollet, Computational Materials Science 25,3, 478
  • 2002
Mid infrared polarization engineering via sub-wavelength biaxial hyperbolic van der Waals crystals
TLDR
V2O5 has been shown to possess the unique phenomenon of natural in-plane biaxial hyperbolicity in the mid-infrared frequency regime at room temperature and is reported a unique application for designing highly efficient, lithography free and extremely subwavelength mid-IR photonic devices for polarization engineering.
Scientific Reports 11
  • 6612
  • 2021
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2
3
4
5
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