Raman tensor of zinc-phosphide (Zn3P2): from polarization measurements to simulation of Raman spectra
| Autor: | Alexander P. Litvinchuk, Mischa Flór, Santhanu Panikar Ramanandan, Rajrupa Paul, Jean-Baptiste Leran, Anna Fontcuberta i Morral, Mirjana Dimitrievska, Elias Z. Stutz, Mahdi Zamani |
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| Rok vydání: | 2022 |
| Předmět: |
010302 applied physics
Materials science General Physics and Astronomy 02 engineering and technology 021001 nanoscience & nanotechnology Polarization (waves) 01 natural sciences 7. Clean energy Molecular physics Light scattering Monocrystalline silicon symbols.namesake Molecular vibration 0103 physical sciences symbols Tensor Physical and Theoretical Chemistry Thin film 0210 nano-technology Raman spectroscopy Anisotropy |
| Zdroj: | Physical Chemistry Chemical Physics. 24:63-72 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | Zinc phosphide (Zn3P2) is an II-V compound semiconductor with promising photovoltaic and thermoelectric applications. Its complex structure is susceptible to facile defect formation, which plays a key role in further optimization of the material. Raman spectroscopy can be effectively used for defect characterization. However, the Raman tensor of Zn3P2, which determines the intensity of Raman peaks and anisotropy of inelastic light scattering, is still unknown. In this paper, we use angle-resolved polarization Raman measurements on stoichiometric monocrystalline Zn3P2 thin films and first-principle calculations to obtain Raman tensor of Zn3P2. This has allowed determination of the Raman tensor elements characteristic for the A1g, B1g and B2g vibrational modes. These results have been compared with the theoretically obtained Raman tensor elements and simulated Raman spectra from the lattice-dynamics calculations using first-principles force constants. Excellent agreement is found between the experimental and simulated Raman spectra of Zn3P2 for various polarization configurations, providing a platform for future characterization of the defects in this material. |
| Databáze: | OpenAIRE |
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