The microscopic origin of the macroscopic dielectric permittivity of crystals: A mathematical viewpoint

DOI10.1007/978-3-642-21943-6_5zbMATH Open1245.82072arXiv1010.3494OpenAlexW1621017222MaRDI QIDQ2897259FDOQ2897259

Authors: É. Cancès, M. Lewin, Gabriel Stoltz 

Publication date: 10 July 2012

Published in: Numerical Analysis of Multiscale Computations (Search for Journal in Brave)

Abstract: The purpose of this paper is to provide a mathematical analysis of the Adler-Wiser formula relating the macroscopic relative permittivity tensor to the microscopic structure of the crystal at the atomic level. The technical level of the presentation is kept at its minimum to emphasize the mathematical structure of the results. We also briefly review some models describing the electronic structure of finite systems, focusing on density operator based formulations, as well as the Hartree model for perfect crystals or crystals with a defect.

Full work available at URL: https://arxiv.org/abs/1010.3494

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zbMATH Keywords

crystalBorn-Oppenheimer approximationHartree modeltime-independent Schrödinger equation\(N\)-body Schrödinger model

Mathematics Subject Classification ID

NLS equations (nonlinear Schrödinger equations) (35Q55) Applications of operator theory in the physical sciences (47N50) Many-body theory; quantum Hall effect (81V70) Statistical mechanics of crystals (82D25)

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Cited In (5)

• On the modeling of interactions between polarons in quantum cristals
• Electronic properties of crystalline fluorides of a cubic crystal system
• The dielectric permittivity of crystals in the reduced Hartree-Fock approximation
• A mathematical formulation of the random phase approximation for crystals
• On derivation of the Poisson-Boltzmann equation

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