Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. codes can routinely generate force constants, but additional steps are required for direct comparison with experimental spectra. On modern spectrometers this is a computationally expensive task due to the large data volumes collected. In addition, workflows are frequently cumbersome as the simulation software and experimental data analysis software often do not easily interface to each other. Here a new package, , is presented. is a robust, easy to use and computationally efficient tool designed to be integrated into experimental software and able to interface directly with the force constant matrix output of codes.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9721333 | PMC |
| http://dx.doi.org/10.1107/S1600576722009256 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Strong Magnon-Phonon Coupling in the Kagome Antiferromagnets.
Phys Rev Lett
August 2025
University of Augsburg, Experimental Physics VI, Center for Electronic Correlations and Magnetism, 86159 Augsburg, Germany.
Magnon-phonon hybridization in ordered materials is a crucial phenomenon with significant implications for spintronics, magnonics, and quantum materials research. We present direct experimental evidence and theoretical insights into magnon-phonon coupling in Mn_{3}Ge, a kagome antiferromagnet with noncollinear spin order. Using inelastic x-ray scattering and ab initio modeling, we uncover strong hybridization between planar spin fluctuations and transverse optical phonons, resulting in a large hybridization gap of ∼2 meV.
View Article and Find Full Text PDFQuasielastic and Inelastic Neutron Scattering Study of Ultraconfined Water in Natural Mordenite ((Ca,Na,K)AlSiO·7HO).
Langmuir
September 2025
Neutron Scattering Division, Oak Ridge National Laboratory, MS 6473, Oak Ridge, Tennessee 37831 United States.
Mordenite ((Ca,Na,K)AlSiO·7HO) is a natural and synthetic nanoporous zeolite containing several channels of different sizes in its structure. Because of this, its structure provides an important opportunity to study the relationship between confined and ultraconfined water as these channels have sizes between those typical of these water environments. In this study, the properties of water molecules in these environments were analyzed using inelastic and quasielastic neutron spectroscopy of a natural mordenite.
View Article and Find Full Text PDFMagnetic Excitations of a Nodally-Hybridized Heavy-Fermion SemiMetal: Application to CeNiSn.
J Phys Condens Matter
September 2025
Department of Physics, Temple University, Barton Hall, Philadelphia, PA 19122-6082, USA, Philadelphiaa, Pennsylvania, 19122, UNITED STATES.
We examine the magnetic excitations of an Anderson lattice model with a Vshaped pseudogap arising from nodal hybridization. The model produces a V-shaped pseudogap in the electronic density of states near the Fermi energy. It lies close to an antiferromagnetic quantum critical point and features lowdimensional Fermi surfaces, aligning with experimental observations of CeNiSn.
View Article and Find Full Text PDFStrong Kitaev Interaction in BaCo_{2}(AsO_{4})_{2}.
Phys Rev Lett
August 2025
University of California, Department of Physics and Astronomy, Irvine, California 92697, USA.
The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo_{2}(AsO_{4})_{2}. Our anisotropic-exchange model closely describes all available neutron scattering data in the material's field-polarized phase. The density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo_{2}(AsO_{4})_{2}.
View Article and Find Full Text PDFPhonon anomaly and local distortion in iron-manganese-based Elinvar alloys.
Sci Technol Adv Mater
August 2025
Institute for Materials Research, Tohoku University, Sendai, Japan.
This paper examines the phonon dispersion and static local atomic distortion of iron-manganese-based Elinvar alloys using high-resolution inelastic X-ray scattering, magnetization, neutron diffraction, and neutron total scattering. In this study, nonlinear phonon dispersion was observed for a transverse acoustic mode near zone center, associated with elastic constants, over a wide temperature range along the to X (310) points of the face-centered cubic system, indicating lattice instability coupled with tetragonal distortions in the long-wavelength limit. Bulk magnetization and neutron diffraction measurements suggest that the conventional ferromagnetic magnetostriction scenario is not the origin of Elinvar characteristics.
View Article and Find Full Text PDF