Optical bounds on many-electron localization
Ivo Souza, Richard M. Martin, Massimiliano Stengel
SciPost Phys. 18, 127 (2025) · published 15 April 2025
- doi: 10.21468/SciPostPhys.18.4.127
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Abstract
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 ℓ (the quantum fluctuations in polarization), electric susceptibility χ, and optical gap EG. All-electron and valence-only versions of the bounds are given, and the latter are found to be more informative. The bounds on ℓ 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.
Authors / Affiliations: mappings to Contributors and Organizations
See all Organizations.- 1 2 3 Ivo Souza,
- 4 5 Richard Martin,
- 6 7 Massimiliano Stengel
- 1 Centro de Física de Materiales / Center for Materials Physics [CFM]
- 2 Euskal Herriko Unibertsitatea / University of the Basque Country [UPV]
- 3 Basque Foundation for Science / Ikerbasque
- 4 University of Illinois at Urbana Champaign [UIUC]
- 5 Stanford University [SU]
- 6 Institució Catalana de Recerca i Estudis Avançats [ICREA]
- 7 Institut de Ciència de Materials de Barcelona [ICMAB]