| Autor: |
Akhir, Muzakkiy P. M., Ramadhani, Achmad, Sumirat, Iwan |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2024, Vol. 2967 Issue 1, p1-6, 6p |
| Abstrakt: |
Inelastic Neutron Scattering (INS) is an ideal tool to investigate the lattice dynamics (or phonons) of materials. It can be conducted not only experimentally, but also theoretically owing to the progress and advance in the computation method. The result from both theory and experiment can complement and confirm each other. We calculate phonon dispersion and phonon density of state of Copper single crystals using first-principle calculation. The phonon band was calculated from the Γ point to Λ and Σ direction. As expected from the presence of one atom within a primitive unit cell, there are three phonon branches consisting of one longitudinal acoustic (LA) and two transverse acoustic (TA) phonons. We then generate inelastic neutron scattering (INS) spectra using coherent approximation. The results are compared with the experimental data obtained from INS experiments using Indonesia's triple-axis spectrometer (TAS/SN1). The Q-E spectra from the simulation nicely coincide with the experimental data. This validates the quality of data and the performance of Indonesia's TAS/SN1 performance. It also opens the chance to conduct inelastic neutron scattering experiments simultaneously with theoretical analysis. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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