Anomalous lattice specific heat and rattling phonon modes in quadruple perovskites
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866909973571698688 |
|---|---|
| author | Irkhin, Valentin Yu. Liu, Zhehong Myakotnikov, Danil A. Komleva, Evgenia V. Long, Youwen Streltsov, Sergey V. |
| author_facet | Irkhin, Valentin Yu. Liu, Zhehong Myakotnikov, Danil A. Komleva, Evgenia V. Long, Youwen Streltsov, Sergey V. |
| contents | Experimental data on the specific heat $C_p$ of quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ (A = Mn, Cu, La, Ce, Dy) are presented, demonstrating an anomalous concave-down $C_p/T$ vs. $T^2$ curve and a bell-shaped feature in $β(T) = (C_p - γT)/T^3$ plotted against $T$ on a logarithmic scale. This feature is most pronounced for A = Cu and Mn. These findings can be explained by the rattling phenomenon, previously identified in other systems such as filled skutterudites and $β$-pyrochlores. Using first-principles DFT+U calculations, the presence of a rattling mode in A = Mn system is directly confirmed. A qualitative interpretation of the rattling mechanism in terms of a pseudo-Jahn-Teller effect is proposed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_19384 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Anomalous lattice specific heat and rattling phonon modes in quadruple perovskites Irkhin, Valentin Yu. Liu, Zhehong Myakotnikov, Danil A. Komleva, Evgenia V. Long, Youwen Streltsov, Sergey V. Materials Science Strongly Correlated Electrons Experimental data on the specific heat $C_p$ of quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ (A = Mn, Cu, La, Ce, Dy) are presented, demonstrating an anomalous concave-down $C_p/T$ vs. $T^2$ curve and a bell-shaped feature in $β(T) = (C_p - γT)/T^3$ plotted against $T$ on a logarithmic scale. This feature is most pronounced for A = Cu and Mn. These findings can be explained by the rattling phenomenon, previously identified in other systems such as filled skutterudites and $β$-pyrochlores. Using first-principles DFT+U calculations, the presence of a rattling mode in A = Mn system is directly confirmed. A qualitative interpretation of the rattling mechanism in terms of a pseudo-Jahn-Teller effect is proposed. |
| title | Anomalous lattice specific heat and rattling phonon modes in quadruple perovskites |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2512.19384 |