Fermi resonance in the phonon spectra of quaternary chalcogenides of the type Cu2ZnGeS4
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VALAKH, M., LITVINCHUK, A., DZHAGAN, Volodymyr, YUKHYMCHUK , Volodymyr, YAREMKO, Anatoliy, ROMANYUK, Yu., GUK, Maxim, BODNAR, Ivan V., PEREZ-RODRIGUEZ, Alejandro, ZAHN, Dietrich R.T.. Fermi resonance in the phonon spectra of quaternary chalcogenides of the type Cu2ZnGeS4. In: Journal of Physics Condensed Matter, 2016, vol. 28, pp. 31-0. ISSN 0953-8984. DOI: https://doi.org/10.1088/0953-8984/28/6/065401
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Journal of Physics Condensed Matter
Volumul 28 / 2016 / ISSN 0953-8984 /ISSNe 1361-648X

Fermi resonance in the phonon spectra of quaternary chalcogenides of the type Cu2ZnGeS4

DOI:https://doi.org/10.1088/0953-8984/28/6/065401

Pag. 31-0

Valakh M.1, Litvinchuk A.2, Dzhagan Volodymyr1, Yukhymchuk Volodymyr1, Yaremko Anatoliy1, Romanyuk Yu.1, Guk Maxim34, Bodnar Ivan V.5, Perez-Rodriguez Alejandro46, Zahn Dietrich R.T.7
 
1 Institute of Semiconductor Physics NAS Ukraine, Kiev,
2 University of Houston, Houston,
3 Institute of Applied Physics, Academy of Sciences of Moldova,
4 Catalonia Institute for Energy Research (IREC), Barcelona,
5 Belarusian State University of Informatics and Radioelectronics,
6 University of Barcelona,
7 Technische Universität Chemnitz
 
 
Disponibil în IBN: 25 ianuarie 2023


Rezumat

The experimental resonant and non-resonant Raman scattering spectra of the kesterite structural modification of Cu2ZnGeS4 single crystals are reported. The results are compared with those calculated theoretically within the density functional perturbation theory. For the majority of lines a good agreement (within 2-5 cm-1) is established between experimental and calculated mode frequencies. However, several dominant spectral lines, in particular the two intense fully symmetric modes, are found to deviate from the calculated values by as much as 20 cm-1. A possible reason for this discrepancy is found to be associated with the Fermi resonant interaction between one and two-phonon vibrational excitations. The modelling of spectra, which takes into account the symmetry of interacting states, allows a qualitative description of the observed experimental findings. Due to the similarity of the vibrational spectra of Cu2AIIBIVS4 (A = Zn, Mn, Cd; B = Sn, Ge, Si) chalcogenides, Fermi resonance is argued to be a general phenomenon for this class of compounds. 

Cuvinte-cheie
Fermi resonance, lattice dynamics, normal modes, Raman scattering