- Open Access
Markov inequality as a tool for linear-scaling estimation of local observables
Phys. Rev. Research 8, 033015 – Published 6 July, 2026
DOI: https://doi.org/10.1103/qb1w-44r1
Abstract
We introduce a linear-scaling stochastic method to compute real-space maps of any positive local spectral operator in a tight-binding model. By employing positive semidefinite estimators, the sampling error at each site can be rigorously bounded relative to the mean via the Markov inequality, overcoming the lack of self-averaging and enabling accurate estimates even under strong spatial fluctuations. The approach extends to nondiagonal observables, such as local currents, through local unitary transformations and its effectiveness is showcased by benchmark calculations in the disordered two-dimensional -flux model, where the local density of states and steady-state current maps are computed. This method will enable simulations of disorder-driven mesoscopic physics in realistically large lattices and accelerate real-space self-consistent mean-field calculations.
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References (44)
- I. Brihuega, P. Mallet, C. Bena, S. Bose, C. Michaelis, L. Vitali, F. Varchon, L. Magaud, K. Kern, and J. Y. Veuillen, Quasiparticle chirality in epitaxial graphene probed at the nanometer scale, Phys. Rev. Lett. 101, 206802 (2008).
- N. M. R. Peres, L. Yang, and S.-W. Tsai, Local density of states and scanning tunneling currents in graphene, New J. Phys. 11, 095007 (2009).
- N. M. R. Peres, S.-W. Tsai, J. E. Santos, and R. M. Ribeiro, Scanning tunneling microscopy currents on locally disordered graphene, Phys. Rev. B 79, 155442 (2009).
- J. R. Kirtley, Fundamental studies of superconductors using scanning magnetic imaging, Rep. Prog. Phys. 73, 126501 (2010).
- L. Rondin, J.-P. Tetienne, T. Hingant, J.-F. Roch, P. Maletinsky, and V. Jacques, Magnetometry with nitrogen-vacancy defects in diamond, Rep. Prog. Phys. 77, 056503 (2014).
- F. Evers and A. D. Mirlin, Anderson transitions, Rev. Mod. Phys. 80, 1355 (2008).
- A. D. Mirlin, Distribution of local density of states in disordered metallic samples: Logarithmically normal asymptotics, Phys. Rev. B 53, 1186 (1996).
- M.-T. Tran, Statistics of local density of states in the Falicov-Kimball model with local disorder, Phys. Rev. B 76, 245122 (2007).
- G. Schubert, J. Schleede, K. Byczuk, H. Fehske, and D. Vollhardt, Distribution of the local density of states as a criterion for Anderson localization: Numerically exact results for various lattices in two and three dimensions, Phys. Rev. B 81, 155106 (2010).
- A. D. Mirlin and Y. V. Fyodorov, Distribution of local densities of states, order parameter function, and critical behavior near the Anderson transition, Phys. Rev. Lett. 72, 526 (1994).
- A. V. Malyshev, V. A. Malyshev, and F. Domínguez-Adame, Monitoring the localization-delocalization transition within a one-dimensional model with nonrandom long-range interaction, Phys. Rev. B 70, 172202 (2004).
- A. Rodriguez, L. J. Vasquez, and R. A. Römer, Multifractal analysis with the probability density function at the three-dimensional Anderson transition, Phys. Rev. Lett. 102, 106406 (2009).
- J. F. Karcher, I. A. Gruzberg, and A. D. Mirlin, Generalized multifractality at metal-insulator transitions and in metallic phases of two-dimensional disordered systems, Phys. Rev. B 106, 104202 (2022).
- G. Calogero, N. R. Papior, P. Bøggild, and M. Brandbyge, Large-scale tight-binding simulations of quantum transport in ballistic graphene, J. Phys.: Condens. Matter 30, 364001 (2018).
- R. S. Nair and P. J. Kelly, Fully resolved currents from quantum transport calculations, Phys. Rev. B 103, 195406 (2021).
- M. König, M. Baenninger, A. G. F. Garcia, N. Harjee, B. L. Pruitt, C. Ames, P. Leubner, C. Brüne, H. Buhmann, L. W. Molenkamp, and D. Goldhaber-Gordon, Spatially resolved study of backscattering in the quantum spin Hall state, Phys. Rev. X 3, 021003 (2013).
- C. A. Rosiek, G. Arregui, A. Vladimirova, M. Albrechtsen, B. Vosoughi Lahijani, R. E. Christiansen, and S. Stobbe, Observation of strong backscattering in valley-Hall photonic topological interface modes, Nat. Photon. 17, 386 (2023).
- V. Ivanov, L. Borkowski, X. Wan, and S. Y. Savrasov, Absence of backscattering in Fermi-arc mediated conductivity of the topological Dirac semimetal , Phys. Rev. B 109, 195139 (2024).
- Y.-Y. Zhang, J. Hu, B. A. Bernevig, X. R. Wang, X. C. Xie, and W. M. Liu, Localization and the Kosterlitz-Thouless transition in disordered graphene, Phys. Rev. Lett. 102, 106401 (2009).
- M. L. Palm, C. Ding, W. S. Huxter, T. Taniguchi, K. Watanabe, and C. L. Degen, Observation of current whirlpools in graphene at room temperature, Science 384, 465 (2024).
- R. Bianco and R. Resta, Mapping topological order in coordinate space, Phys. Rev. B 84, 241106(R) (2011).
- D. Varjas, M. Fruchart, A. R. Akhmerov, and P. M. Perez-Piskunow, Computation of topological phase diagram of disordered using the kernel polynomial method, Phys. Rev. Res. 2, 013229 (2020).
- A. Weiße, G. Wellein, A. Alvermann, and H. Fehske, The kernel polynomial method, Rev. Mod. Phys. 78, 275 (2006).
- A. Ferreira and E. R. Mucciolo, Critical delocalization of chiral zero energy modes in graphene, Phys. Rev. Lett. 115, 106601 (2015).
- S. M. João, M. Anđelković, L. Covaci, T. G. Rappoport, J. M. V. P. Lopes, and A. Ferreira, KITE: High-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures, R. Soc. Open Sci. 7, 191809 (2020).
- S. M. João, J. M. V. P. Lopes, and A. Ferreira, High-resolution real-space evaluation of the self-energy operator of disordered lattices: Gade singularity, spin–orbit effects and p-wave superconductivity, J. Phys.: Mater. 5, 045002 (2022).
- S. G. de Castro, J. M. V. P. Lopes, A. Ferreira, and D. A. Bahamon, Fast Fourier–Chebyshev approach to real‐space simulations of the Kubo formula, Phys. Rev. Lett. 132, 076302 (2024).
- L. Covaci, F. M. Peeters, and M. Berciu, Efficient numerical approach to inhomogeneous superconductivity: The Chebyshev-Bogoliubov–de Gennes method, Phys. Rev. Lett. 105, 167006 (2010).
- M. Hutchinson, A stochastic estimator of the trace of the influence matrix for Laplacian smoothing splines, Commun. Stat. Simul. Comput. 19, 433 (1990).
- C. Bekas, E. Kokiopoulou, and Y. Saad, An estimator for the diagonal of a matrix, Appl. Numer. Math. 57, 1214 (2007).
- V. M. Pereira, F. Guinea, J. M. B. L. dos Santos, N. M. R. Peres, and A. H. C. Neto, Disorder induced localized states in graphene, Phys. Rev. Lett. 96, 036801 (2006).
- H. P. Veiga, S. M. João, J. M. Alendouro Pinho, J. P. Santos Pires, and J. M. V. P. Lopes, Unambiguous simulation of diffusive charge transport in disordered nanoribbons, SciPost Phys. 17, 149 (2024).
- H. Avron and S. Toledo, Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix, J. ACM 58, 1 (2011).
- R. Baer, D. Neuhauser, and E. Rabani, Self-averaging stochastic Kohn–Sham density-functional theory, Phys. Rev. Lett. 111, 106402 (2013).
- Z. Wang, G.-W. Chern, C. D. Batista, and K. Barros, Gradient-based stochastic estimation of the density matrix, J. Chem. Phys. 148, 094107 (2018).
- The notation used for the estimator definition is in line with the standard for numerical KPM implementations [23].
- J. P. S. Pires, B. Amorim, and J. M. V. P. Lopes, Landauer transport as a quasisteady state on finite chains under unitary quantum dynamics, Phys. Rev. B 101, 104203 (2020).
- M. Gonçalves, P. Ribeiro, E. V. Castro, and M. A. N. Araújo, Disorder-driven multifractality transition in Weyl nodal loops, Phys. Rev. Lett. 124, 136405 (2020).
- M. Stosiek, F. Evers, and I. S. Burmistrov, Multifractal correlations of the local density of states in dirty superconducting films, Phys. Rev. Res. 3, L042016 (2021).
- J. H. Pixley, D. A. Huse, and S. Das Sarma, Rare-region-induced avoided quantum criticality in disordered three-dimensional Dirac and Weyl semimetals, Phys. Rev. X 6, 021042 (2016).
- M. Buchhold, S. Diehl, and A. Altland, Vanishing density of states in weakly disordered Weyl semimetals, Phys. Rev. Lett. 121, 215301 (2018).
- J. P. S. Pires, B. Amorim, A. Ferreira, İ. Adagideli, E. R. Mucciolo, and J. M. V. P. Lopes, Breakdown of universality in three-dimensional Dirac semimetals with random impurities, Phys. Rev. Res. 3, 013183 (2021).
- J. P. S. Pires, S. M. João, A. Ferreira, B. Amorim, and J. M. V. P. Lopes, Anomalous transport signatures in Weyl semimetals with point defects, Phys. Rev. Lett. 129, 196601 (2022).
- H. Veiga, Data used in “Markov inequality as a tool for linear-scaling estimation of local observables” [Data set], Zenodo, 2026, https://doi.org/10.5281/zenodo.19184431.