Abstract
We report an inelastic x-ray scattering investigation of phonons in FeSe superconductor. Comparing the experimental phonon dispersion with density-functional theory (DFT) calculations in the nonmagnetic state, we found a significant disagreement between them. Improved overall agreement was obtained by allowing for spin polarization in the DFT calculations, despite the absence of magnetic order in the experiment. This calculation gives a realistic approximation, at the DFT level, of the disordered paramagnetic state of FeSe, in which strong spin fluctuations are present.
- Received 8 October 2019
- Revised 13 December 2019
DOI:https://doi.org/10.1103/PhysRevB.101.035126
©2020 American Physical Society