Effects of Coupling Between Chiral Vibrations and Spins in Molecular Magnets
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_ | 1866912379422375936 |
|---|---|
| author | Ullah, Aman Varganov, Sergey A. Barlas, Yafis |
| author_facet | Ullah, Aman Varganov, Sergey A. Barlas, Yafis |
| contents | In single molecular magnets, chiral vibrations carrying vibrational angular momentum ($\hat{L}^{\text{vib}}$) emerge due to the splitting of a doubly degenerate vibrational mode. Here, we identify a new type of effective spin-vibrational coupling responsible for lifting this degeneracy, which can facilitate optically selective excitations. In the presence of an external Zeeman field, this coupling breaks both inversion (in-plane parity) $\mathcal{P}$ and time-reversal $\mathcal{T}$ symmetries, imparting distinct geometric phases to the resulting dressed spin-vibronic states. The wave function of the spin-vibronic state is characterized by a $π$-Berry phase, which results in magneto-optical circular dichroism. This framework is validated using density functional theory and multi-reference \emph{ab initio} calculations on the Ce(trenovan) molecular magnet. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_10904 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Effects of Coupling Between Chiral Vibrations and Spins in Molecular Magnets Ullah, Aman Varganov, Sergey A. Barlas, Yafis Mesoscale and Nanoscale Physics In single molecular magnets, chiral vibrations carrying vibrational angular momentum ($\hat{L}^{\text{vib}}$) emerge due to the splitting of a doubly degenerate vibrational mode. Here, we identify a new type of effective spin-vibrational coupling responsible for lifting this degeneracy, which can facilitate optically selective excitations. In the presence of an external Zeeman field, this coupling breaks both inversion (in-plane parity) $\mathcal{P}$ and time-reversal $\mathcal{T}$ symmetries, imparting distinct geometric phases to the resulting dressed spin-vibronic states. The wave function of the spin-vibronic state is characterized by a $π$-Berry phase, which results in magneto-optical circular dichroism. This framework is validated using density functional theory and multi-reference \emph{ab initio} calculations on the Ce(trenovan) molecular magnet. |
| title | Effects of Coupling Between Chiral Vibrations and Spins in Molecular Magnets |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2505.10904 |