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Vibrational properties of 2H-PbI2 semiconductors studied via Density Functional Theory calculations.

Authors :
Pedesseau, L.
Even, J.
Katan, C.
Raouafi, F.
Wei, Y.
Deleporte, E.
Jancu, J.-M.
Source :
Thin Solid Films. Aug2013, Vol. 541, p9-11. 3p.
Publication Year :
2013

Abstract

Abstract: Density Functional Theory is used to study the vibrational properties of 2H-PbI2 semiconductor. The Born charge tensors are determined. Calculated phonon frequencies at the Brillouin zone center are compared to Raman scattering and IR absorption measurements. The computed Raman spectra show a good agreement with available experimental data. The simulated phonon dispersion curves are compared with triple-axis neutron scattering measurements. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
00406090
Volume :
541
Database :
Academic Search Index
Journal :
Thin Solid Films
Publication Type :
Academic Journal
Accession number :
89435324
Full Text :
https://doi.org/10.1016/j.tsf.2012.10.129