The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule

DOI10.1007/s00205-010-0339-1zbMath1253.74025OpenAlexW2071019270MaRDI QIDQ717442

E. Weinan, Jian-feng Lu

Publication date: 4 October 2011

Published in: Archive for Rational Mechanics and Analysis (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00205-010-0339-1

zbMATH Keywords

Green's functionspectrumHamiltonian operatorBloch-Floquet theory

Mathematics Subject Classification ID

Crystalline structure (74E15) Statistical mechanics of crystals (82D25)

Related Items (19)

Localized density matrix minimization and linear-scaling algorithms ⋮ Decay estimates of discretized Green's functions for Schrödinger type operators ⋮ On derivation of the Poisson-Boltzmann equation ⋮ Finite element analysis of Cauchy-Born approximations to atomistic models ⋮ Effective Maxwell equations from time-dependent density functional theory ⋮ Localization of generalized Wannier bases implies Chern triviality in non-periodic insulators ⋮ Localization in Matrix Computations: Theory and Applications ⋮ Mathematical theory of solids: from quantum mechanics to continuum models ⋮ Analysis of the divide-and-conquer method for electronic structure calculations ⋮ Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model ⋮ Thermodynamic limit of crystal defects with finite temperature tight binding ⋮ Construction of real-valued localized composite Wannier functions for insulators ⋮ QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model ⋮ The Kohn-Sham equation for deformed crystals ⋮ Numerical methods for Kohn–Sham density functional theory ⋮ Differential equations of quantum mechanics ⋮ Finite Temperature Cauchy--Born Rule and Stability of Crystalline Solids with Point Defects ⋮ Stability and the continuum limit of the spin-polarized Thomas-Fermi-Dirac-von Weizsäcker model ⋮ Existence and computation of generalized Wannier functions for non-periodic systems in two dimensions and higher

Cites Work

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• Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators
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• The elastic continuum limit of the tight binding model
• The existence of generalised Wannier functions for one-dimensional systems
• From molecular models to continuum mechanics
• Triviality of Bloch and Bloch-Dirac bundles
• Cauchy-Born rule and the stability of crystalline solids: dynamic problems
• Analytic Properties of Bloch Waves and Wannier Functions
• The Kohn-Sham equation for deformed crystals
• The Structure of Electronic Excitation Levels in Insulating Crystals

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