Lattice Dynamics of LiFeAs studied by Inelastic Neutron Scattering and Density Functional Theory calculations
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arXiv
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| Auteurs principaux: | , , , , , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866908902786859008 |
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| author | Tewari, Akshay Qureshi, Navid Heid, Rolf Piovano, Andrea Sidis, Yvan Harnagea, Luminita Wurmehl, Sabine Buchner, Bernd Braden, Markus |
| author_facet | Tewari, Akshay Qureshi, Navid Heid, Rolf Piovano, Andrea Sidis, Yvan Harnagea, Luminita Wurmehl, Sabine Buchner, Bernd Braden, Markus |
| contents | We investigated the lattice dynamics of the unconventional superconductor LiFeAs using inelastic neutron scattering experiments and density-functional theory (DFT) calculations. By comparing the neutron scattering intensities with lattice-dynamics simulations we can identify the polarization symmetry of all modes along the main-symmetry directions yielding a complete experimental picture of the phonon dispersion. Overall there is good agreement between the experimental and DFT results, which renders an overlooked strong electron phonon coupling unlikely. Our DFT calculations reveal only a small averaged electron-phonon coupling constant. The transversal acoustic in-plane branches exhibit a normal dispersion for small propagation vectors indicating the absence of a nematic instability. Several modes exhibit considerable hardening upon cooling that can be attributed to the anisotropic shrinking of the LiFeAs lattice. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_19956 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Lattice Dynamics of LiFeAs studied by Inelastic Neutron Scattering and Density Functional Theory calculations Tewari, Akshay Qureshi, Navid Heid, Rolf Piovano, Andrea Sidis, Yvan Harnagea, Luminita Wurmehl, Sabine Buchner, Bernd Braden, Markus Superconductivity We investigated the lattice dynamics of the unconventional superconductor LiFeAs using inelastic neutron scattering experiments and density-functional theory (DFT) calculations. By comparing the neutron scattering intensities with lattice-dynamics simulations we can identify the polarization symmetry of all modes along the main-symmetry directions yielding a complete experimental picture of the phonon dispersion. Overall there is good agreement between the experimental and DFT results, which renders an overlooked strong electron phonon coupling unlikely. Our DFT calculations reveal only a small averaged electron-phonon coupling constant. The transversal acoustic in-plane branches exhibit a normal dispersion for small propagation vectors indicating the absence of a nematic instability. Several modes exhibit considerable hardening upon cooling that can be attributed to the anisotropic shrinking of the LiFeAs lattice. |
| title | Lattice Dynamics of LiFeAs studied by Inelastic Neutron Scattering and Density Functional Theory calculations |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2603.19956 |