2015
DOI: 10.1103/physrevb.91.165117
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Efficient linear scaling approach for computing the Kubo Hall conductivity

Abstract: We report an order-N approach to compute the Kubo Hall conductivity for disorderd two-dimensional systems reaching tens of millions of orbitals, and realistic values of the applied external magnetic fields (as low as a few Tesla). A time-evolution scheme is employed to evaluate the Hall conductivity σ xy using a wave-packet propagation method and a continued fraction expansion for the computation of diagonal and off-diagonal matrix elements of the Green functions. The validity of the method is demonstrated by … Show more

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Cited by 21 publications
(20 citation statements)
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“…The nondissipative Hall conductivity is calculated using a newly developed efficient real-space algorithm [49,50] (see also Ref. [51]) as follows:…”
Section: Model and Methodsmentioning
confidence: 99%
“…The nondissipative Hall conductivity is calculated using a newly developed efficient real-space algorithm [49,50] (see also Ref. [51]) as follows:…”
Section: Model and Methodsmentioning
confidence: 99%
“…We further calculated the Hall conductivity from the Kubo-Bastin formula, 35 in the context of the kernel polynomial method. 36,37 We find that unbiased BP presents the characteristic integer quantum Hall effect with σ IQHE xy = 2n(e 2 /h), whereas biased semimetal BP presents a relativistic quantum Hall effect characteristic of Dirac materials, with σ RQHE xy = 4(n + 1/2)(e 2 /h).…”
Section: Introductionmentioning
confidence: 99%
“…For this aim, we use an efficient numerical approach, recently developed by García et al, 36 that is based on a real space implementation of the Kubo formalism where both diagonal and offdiagonal conductivities are treated in the same footing. In the limit ω → 0 and for non-interacting electrons, the so-called Kubo-Bastin formula for the conductivity can be used to obtain the elements of the static conductivity tensor [35][36][37] …”
Section: Hall Conductivitymentioning
confidence: 99%
“…II. The core of this method lies in the approximation of the completeness relation by random-phase vectors (Ortmann et al, 2015;Ortmann and Roche, 2013),…”
Section: A Topological and Fermi Surface Contributionsmentioning
confidence: 99%
“…One of the main advantages of such approaches is the ability to identify different regimes of quantum transport -ballistic, diffusive, and localized -by following the time-dependent spatial spreading of quantum wavepackets. Similar types of methodology, as well as other algorithms using the KPM technique, have extended the capability of these methods to the study of other quantities such as the Hall conductivity (García et al, 2015;Ortmann et al, 2015;Ortmann and Roche, 2013), spin dynamics (Cummings et al, 2017;Van Tuan et al, 2014;Vierimaa et al, 2017), and lattice thermal conductivity in disordered systems (Sevinçli et al, 2011;Li et al, 2010Li et al, , 2011.…”
mentioning
confidence: 99%