Optical phonons in the kesterite Cu2ZnGeS4 semiconductor: polarized Raman spectroscopy and first-principle calculations

M. Guc; A. P. Litvinchuk; S. Levcenko; M. Ya. Valakh; I. V. Bodnar; V. M. Dzhagan; V. Izquierdo-Roca; E. Arushanov; A. Pérez-Rodríguez

doi:10.1039/C5RA26844C

Optical phonons in the kesterite Cu₂ZnGeS₄ semiconductor: polarized Raman spectroscopy and first-principle calculations†

M. Guc,*^ab A. P. Litvinchuk,^c S. Levcenko,^d M. Ya. Valakh,^e I. V. Bodnar,^f V. M. Dzhagan,^eg V. Izquierdo-Roca,^a E. Arushanov^b and A. Pérez-Rodríguez^ah

Author affiliations

* Corresponding authors

^a IREC, Catalonia Institute for Energy Research, Sant Adria del Besos, Barcelona 08930, Spain
E-mail: mguc@irec.cat

^b Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau MD 2028, Moldova

^c Texas Center for Superconductivity and Department of Physics, University of Houston, Houston, Texas 77204-5002, USA

^d Helmholtz Zentrum Berlin fur Materialien und Energie, Berlin D-14109, Germany

^e Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Kiev 03028, Ukraine

^f Department of Chemistry, Belarusian State University of Informatics and Radioelectronics, Minsk, Belarus

^g Semiconductor Physics, Technische Universitat Chemnitz, D-09107 Chemnitz, Germany

^h IN2UB, Departament d'Electronica, Universitat de Barcelona, Barcelona 08028, Spain

Abstract

A comprehensive vibrational analysis of the kesterite Cu₂ZnGeS₄ semiconductor (space group I [4 with combining macron] ) is reported, which includes experimental in-plane rotation polarized Raman scattering measurements from the (1 0 1)-single crystal facet as well as first principle lattice dynamic calculations. 17 out of the 27 expected vibrational modes of the kesterite structure are unambiguously identified. Raman scattering measurements performed under resonant excitation conditions show a pronounced enhancement of the longitudinal optical components of the polar modes. The appearance of several additional lines in the Raman spectra have been interpreted as being due to the presence of inclusions of Cu₂ZnGeS₄ polymorph with the P [4 with combining macron] 2c lattice symmetry, which differs from the kesterite by cation sublattice arrangement.

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Article information

DOI: https://doi.org/10.1039/C5RA26844C
Article type: Paper
Submitted: 15 Dec 2015
Accepted: 21 Jan 2016
First published: 25 Jan 2016

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RSC Adv., 2016,6, 13278-13285

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Optical phonons in the kesterite Cu₂ZnGeS₄ semiconductor: polarized Raman spectroscopy and first-principle calculations

M. Guc, A. P. Litvinchuk, S. Levcenko, M. Ya. Valakh, I. V. Bodnar, V. M. Dzhagan, V. Izquierdo-Roca, E. Arushanov and A. Pérez-Rodríguez, RSC Adv., 2016, 6, 13278 DOI: 10.1039/C5RA26844C

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