Phonon spectrum and soft-mode behavior of MgCNi_3
R. Heid (1), B. Renker (1), H. Schober (2), P. Adelmann (1), D. Ernst, (1), K.-P. Bohnen (1) ((1) Forschungszentrum Karlsruhe, Institut fuer, Festkoerperphysik,(2) Institut Laue-Langevin, Grenoble)
TL;DR
This study investigates the phonon spectrum of MgCNi_3, revealing soft-mode behavior and potential lattice instability related to Ni vibrations, through neutron scattering and ab initio calculations.
Contribution
It combines experimental neutron scattering data with theoretical density functional calculations to analyze phonon behavior and lattice stability in MgCNi_3.
Findings
Evidence of soft-mode behavior in Ni phonon modes
Indication of incipient lattice instability related to Ni vibrations
Comparison between experimental data and ab initio calculations
Abstract
Temperature dependent inelastic neutron-scattering measurements of the generalized phonon density-of-states for superconducting MgCNi_3, T_c=8 K, give evidence for a soft-mode behavior of low-frequency Ni phonon modes. Results are compared with ab initio density functional calculations which suggest an incipient lattice instability of the stoichiometric compound with respect to Ni vibrations orthogonal to the Ni-C bond direction.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.