Optical bounds on many-electron localization
We establish rigorous inequalities between different electronic properties linked to optical sum rules, and organize them into weak and strong bounds on three characteristic properties of insulators: electron localization length $\ell$ (the quantum fluctuations in polarization), electric susceptibil...
Saved in:
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
SciPost
2025-04-01
|
| Series: | SciPost Physics |
| Online Access: | https://scipost.org/SciPostPhys.18.4.127 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850199580282454016 |
|---|---|
| author | Ivo Souza, Richard M. Martin, Massimiliano Stengel |
| author_facet | Ivo Souza, Richard M. Martin, Massimiliano Stengel |
| author_sort | Ivo Souza, Richard M. Martin, Massimiliano Stengel |
| collection | DOAJ |
| description | We establish rigorous inequalities between different electronic properties linked to optical sum rules, and organize them into weak and strong bounds on three characteristic properties of insulators: electron localization length $\ell$ (the quantum fluctuations in polarization), electric susceptibility $\chi$, and optical gap $E_{\mathrm{G}}$. All-electron and valence-only versions of the bounds are given, and the latter are found to be more informative. The bounds on $\ell$ are particularly interesting, as they provide reasonably tight estimates for an ellusive ground-state property – the average localization length of valence electrons – from tabulated experimental data: electron density, high-frequency dielectric constant, and optical gap. The localization lengths estimated in this way for several materials follow simple chemical trends, especially for the alkali halides. We also illustrate our findings via analytically solvable harmonic oscillator models, which reveal an intriguing connection to the physics of long-ranged van der Waals forces. |
| format | Article |
| id | doaj-art-b7e8c0ffa82142bb874cd5e44cd77852 |
| institution | OA Journals |
| issn | 2542-4653 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | SciPost |
| record_format | Article |
| series | SciPost Physics |
| spelling | doaj-art-b7e8c0ffa82142bb874cd5e44cd778522025-08-20T02:12:35ZengSciPostSciPost Physics2542-46532025-04-0118412710.21468/SciPostPhys.18.4.127Optical bounds on many-electron localizationIvo Souza, Richard M. Martin, Massimiliano StengelWe establish rigorous inequalities between different electronic properties linked to optical sum rules, and organize them into weak and strong bounds on three characteristic properties of insulators: electron localization length $\ell$ (the quantum fluctuations in polarization), electric susceptibility $\chi$, and optical gap $E_{\mathrm{G}}$. All-electron and valence-only versions of the bounds are given, and the latter are found to be more informative. The bounds on $\ell$ are particularly interesting, as they provide reasonably tight estimates for an ellusive ground-state property – the average localization length of valence electrons – from tabulated experimental data: electron density, high-frequency dielectric constant, and optical gap. The localization lengths estimated in this way for several materials follow simple chemical trends, especially for the alkali halides. We also illustrate our findings via analytically solvable harmonic oscillator models, which reveal an intriguing connection to the physics of long-ranged van der Waals forces.https://scipost.org/SciPostPhys.18.4.127 |
| spellingShingle | Ivo Souza, Richard M. Martin, Massimiliano Stengel Optical bounds on many-electron localization SciPost Physics |
| title | Optical bounds on many-electron localization |
| title_full | Optical bounds on many-electron localization |
| title_fullStr | Optical bounds on many-electron localization |
| title_full_unstemmed | Optical bounds on many-electron localization |
| title_short | Optical bounds on many-electron localization |
| title_sort | optical bounds on many electron localization |
| url | https://scipost.org/SciPostPhys.18.4.127 |
| work_keys_str_mv | AT ivosouzarichardmmartinmassimilianostengel opticalboundsonmanyelectronlocalization |