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    Real-space spectral approach to orbital magnetization

    Kevin J. U. Vidarte1,*, Henrique P. Veiga2,3, João M. Viana Parente Lopes2, Ramon Cardias4, Aires Ferreira3, Tarik P. Cysne5, and Tatiana G. Rappoport1,4,6,†

    • *Contact author: kevin.urcia@inl.int
    • †Contact author: tatiana.rappoport@inl.int

    Phys. Rev. B 113, 224438 – Published 23 June, 2026

    DOI: https://doi.org/10.1103/bhg8-c3rw

    Abstract

    We present a real-space spectral method for computing the orbital magnetization of crystals. Starting from the commutator form of the orbital magnetization operator, we formulate an energy-resolved spectral function that is amenable to exacting Chebyshev polynomial expansions and yields the total magnetization upon integration up to the Fermi level. This avoids the need for computing eigenstates and ground-state projects, providing an efficient numerical framework that is applicable to very large systems even in the presence of disorder and finite temperature. Our approach is benchmarked on the Haldane model, finding results that are in excellent agreement with the modern k-space formulation of orbital magnetization. Leveraging this technique, we extend our study to systems with uncorrelated disorder and point defects, and further show that the bulk Chern number can be directly obtained from the magnetization spectral density. These results open a promising route to investigate orbital responses and topological transitions in real-space models of quantum materials with realistic complexity.

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