Journal
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
Volume 211, Issue 1, Pages 195-199Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssa.201330229
Keywords
ab initio calculations; lattice dynamics; nanocrystals; phonons; Raman spectroscopy
Funding
- Alexander von Humboldt Foundation
- State of Texas through the Texas Center for Superconductivity
- German Research Foundation [HI 1534/1-1]
- EWE AG, Oldenburg
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We report the results of non-resonant and resonant Raman scattering in orthorhombic nanocrystalline CuInS2 semiconductor, supported by density functional first principle lattice dynamics calculations. A larger number of dominant phonon modes in comparison with standard tetragonal CuInS2 phases is shown to be associated with peculiarities of cation sublattice ordering and is the fingerprint of the corresponding structural polymorph. Good overall agreement is found between theoretical and experimental phonon mode frequencies. (C) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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