TY - JOUR A1 - Hildebrandt, R. A1 - Seifert, M. A1 - George, Janine A1 - Blaurock, S. A1 - Botti, S. A1 - Krautscheid, H. A1 - Grundmann, M. A1 - Sturm, C. T1 - Determination of acoustic phonon anharmonicities via second-order Raman scattering in CuI N2 - We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned by the support of the calculated 2-phonon density of states. In this way, the temperature dependence of acoustic phonons was determined down to 10 K. To determine independently the harmonic contributions of respective acoustic phonons, density functional theory in quasi-harmonic approximation was used. Finally, the anharmonic contributions were determined. The results are in agreement with earlier publications and extend CuI’s determined acoustic phonon properties to lower temperatures with higher accuracy. This approach demonstrates that it is possible to characterize the acoustic anharmonicities via Raman scattering down to zero-temperature renormalization constants of at least 0.1 cm⁻¹. KW - Thermoelectrics KW - Thermal transport KW - Phonon interactions KW - Density functional theory KW - Phonons PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593164 DO - https://doi.org/10.1088/1367-2630/ad1141 SN - 1367-2630 VL - 25 IS - 12 SP - 1 EP - 12 PB - IOP Publishing CY - London AN - OPUS4-59316 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Hildebrandt, R. A1 - Seifert, M. A1 - George, Janine A1 - Blaurock, S. A1 - Botti, S. A1 - Krautscheid, H. A1 - Grundmann, M. A1 - Sturm, C. T1 - Determination of acoustic phonon anharmonicities via second-order Raman scattering in CuI N2 - We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned by the support of the calculated 2-phonon density of states. In this way, the temperature dependence of acoustic phonons was determined down to 10 K. To determine independently the harmonic contributions of respective acoustic phonons, density functional theory (DFT) in quasi-harmonic approximation was used. Finally, the anharmonic contributions were determined. The results are in agreement with earlier publications and extend CuI's determined acoustic phonon properties to lower temperatures with higher accuracy. This approach demonstrates that it is possible to characterize the acoustic anharmonicities via Raman scattering down to zero-temperature renormalization constants of at least 0.1 cm⁻¹. KW - DFT KW - Quasi-harmonic approximation KW - Raman KW - Phonons KW - Anharmonicity PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-583699 DO - https://doi.org/10.48550/arXiv.2305.18931 SN - 2331-8422 SP - 1 EP - 14 PB - Cornell University CY - Ithaca, NY AN - OPUS4-58369 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Viehrig, H.-W. A1 - Baer, Wolfram A1 - Gerwien, Peter A1 - Grundmann, N. A1 - Houska, M. A1 - Lucon, E. A1 - Mottitschka, T. A1 - Trubitz, P. T1 - Bestimmung der J-Risswiderstandskurve an einem zähen Reaktordruckbehälterstahl - Ergebnisse eines Round Robin Tests T2 - 45. Tagung des DVM-Arbeitskreises Bruchvorgänge CY - Berlin, Germany DA - 2013-02-19 KW - Duktiles Risswachstum KW - J-Integral KW - Teilentlastungsverfahren KW - Bruchzähigkeit KW - Ductile tearing KW - J integral KW - Unloading compliance KW - Fracture toughness KW - Bruchmechanik KW - Round Robin KW - Risswiderstandskurve PY - 2013 N1 - Serientitel: DVM-Bericht – Series title: DVM-Bericht VL - 245 SP - 91 EP - 100 AN - OPUS4-27912 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -