Search results for "Raman Spectra"
showing 6 items of 16 documents
Nitrogen interstitial defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
2019
The vibrational features of eight interstitial nitrogen related defects in silicon have been investigated at the first principles quantum mechanical level by using a periodic supercell approach, a hybrid functionals, an all electron Gaussian type basis set and the Crystal code. The list includes defects that will be indicated as Ni (one N atom forming a bridge between two Si atoms), Ni-Ns (one interstitial and one substitutional N atom linked to the same Si atom), Ni-Ni (two Ni defects linked to the same couple of silicon atoms) and Ni-Sii-Ni (two Ni defects linked to the same interstitial silicon atom). Four 〈0 0 1〉 split interstitial (dumbbell) defects have also been considered, in which …
High accuracy Raman measurements using the Stokes and anti-Stokes lines
1997
We show that by measuring the separation between the Stokes and anti-Stokes peaks excited by two different laser lines we obtain a very precise determination of absolute phonon energies. The method is useful for measuring small changes of these energies with strain, temperature, laser power, etc. It doubles the changes and avoids the necessity of using the reference lines in the Raman spectra. The method can be applied for the determination of phonon deformation potentials, for the characterization of strained heteroepitaxial layers, and for micro-Raman analysis of strain in silicon integrated circuits. We give examples of phonon shifts in Si, Ge, GaAs, InAs, and GaP as a function of applie…
Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra
2020
EUROfusion Enabling Research Project, Grant/Award Number: ENR‐MFE19.ISSP‐UL‐02; GENCI, Grant/Award Number: 2018‐[A0050810537] (Ph. D'Arco) Access to the HPC resources of CINES/IDRIS/TGCC obtained thanks to the grant 2018-[A0050810537]
Electron Irradiation Effects on Single‐Layer MoS 2 Obtained by Gold‐Assisted Exfoliation
2022
International audience; Mechanical exfoliation assisted by gold is applied to obtain good quality large lateral size single-layer MoS2. The effects of 2.5 MeV electron irradiation are investigated at room temperature on structural and electronic features by Raman and microluminescence spectroscopy. The exciton recombination emission in the direct bandgap of single-layer MoS2 is affected during irradiation starting from the minimum explored dose of 1 kGy. At higher doses, Raman bands show no relevant modifications whereas the exciton emission is quenched, suggesting that irradiation-induced point defects affect exciton dynamics.
New high-pressure phase and equation of state of Ce2Zr2O8
2012
In this paper we report a new high-pressure rhombohedral phase of Ce2Zr2O8 observed from high-pressure angle-dispersive x-ray diffraction and Raman spectroscopy studies up to nearly 12 GPa. The ambient-pressure cubic phase of Ce2Zr2O8 transforms to a rhombohedral structure beyond 5 GPa with a feeble distortion in the lattice. Pressure evolution of unit-cell volume showed a change in compressibility above 5 GPa. The unit-cell parameters of the high-pressure rhombohedral phase at 12.1 GPa are ah = 14.6791(3) {\AA}, ch = 17.9421(5) {\AA}, V = 3348.1(1) {\AA}3. The structure relation between the parent cubic (P2_13) and rhombohedral (P3_2) phases were obtained by group-subgroup relations. All t…
Complex multilayer carbon structures for green energetics
2017
The authors greatly acknowledge the IMIS2 project of the National Reform Programme of Latvia for financial support. The publication costs of this article were covered by the Estonian Academy of Sciences and the University of Tartu.