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arxiv: 2605.02548 · v2 · pith:FLXVYZMWnew · submitted 2026-05-04 · ❄️ cond-mat.mes-hall

Injection of orbital angular momentum into transition metals from first-principles

Pith reviewed 2026-05-21 00:16 UTC · model grok-4.3

classification ❄️ cond-mat.mes-hall
keywords orbital currentspin currentorbital Hall effecttransition metalsspin-orbit couplingfirst-principles scatteringnonequilibrium transportmuffin-tin orbitals
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The pith

Orbital currents injected into transition metals decay within a few atomic layers.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper uses quantum mechanical scattering calculations to track nonequilibrium orbital and spin currents in transition metals. It finds that orbital currents relax over just a few atomic layers after injection from a lead. This short scale stands in contrast to spin currents, which decay over the much longer spin-flip diffusion length. When spin-orbit coupling is added, the orbital current converts partially into a spin current on the same few-layer scale. The result reframes how the orbital Hall effect should be understood in these materials.

Core claim

Using scattering calculations in a tight-binding muffin-tin orbital basis, the authors show that injected orbital currents in transition metals decay within a few atomic layers. This short decay length differs from the longer spin-flip diffusion length observed for spin currents. When spin-orbit coupling is present, the orbital current is partially converted to a spin current over these same few layers, offering a new view on the orbital Hall effect.

What carries the argument

Quantum mechanical scattering calculations in the tight-binding muffin-tin orbital basis that model nonequilibrium injection and relaxation of orbital and spin currents.

Load-bearing premise

The tight-binding muffin-tin orbital basis and scattering method accurately capture the short-length-scale decay of orbital currents without significant basis-set errors.

What would settle it

An experiment that measures the spatial decay of orbital current directly in a transition-metal film only a few atomic layers thick and checks whether the length scale matches the calculated few layers or the longer spin-flip diffusion length.

Figures

Figures reproduced from arXiv: 2605.02548 by Max Rang, Paul J. Kelly.

Figure 1
Figure 1. Figure 1: The periodic boundary conditions in the trans￾port direction of the crystalline leads are used to con￾struct left- and right-propagating Bloch states which are z jc jX L S R FIG. 1. Schematic of the left-lead|scattering-region|right-lead (L|S|R) geometry. As a result of the spin/orbital Hall effects (SHE/OHE), a charge current jc originating in the leads par￾allel to the z direction gives rise to a current… view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. Fermi energy dependence of (left-hand axis) the or view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. Injection of a current of OAM polarized in the view at source ↗
Figure 6
Figure 6. Figure 6: FIG. 6. Injection of a current of OAM polarized in the view at source ↗
Figure 9
Figure 9. Figure 9: FIG. 9. Injection of a current of OAM, view at source ↗
Figure 8
Figure 8. Figure 8: FIG. 8. Inverse spin Hall effect in Pt due to the spin current view at source ↗
Figure 11
Figure 11. Figure 11: FIG. 11. Injection of an orbitally polarized current into room view at source ↗
Figure 10
Figure 10. Figure 10: FIG. 10. Injection of an orbitally polarized current into room view at source ↗
read the original abstract

We use quantum mechanical scattering calculations implemented in a basis of tight-binding muffin-tin orbitals to calculate nonequilibrium spin and orbital currents in transition metals with a view to understanding the length scale on which they decay. In the case of spin currents, the relaxation length, called the spin-flip diffusion length, is reasonably well understood. We apply our experience with spin currents to study orbitally-polarized currents and find that they behave qualitatively differently. Upon injection from a lead, orbital currents decay within a few atomic layers contradicting the current interpretation of experimental results which appear to show exponential decay on the length scale of the spin-flip diffusion length and longer. When spin-orbit coupling is included, the injected orbital current is partially converted into a spin current within a few atomic layers. This insight provides a new perspective on the physics of the orbital Hall effect.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

1 major / 2 minor

Summary. The manuscript uses quantum mechanical scattering calculations in a tight-binding muffin-tin orbital (TB-MTO) basis to compute nonequilibrium spin and orbital currents in transition metals. The central finding is that orbital currents decay within a few atomic layers after injection from a lead, in qualitative contrast to spin currents whose relaxation occurs over the longer spin-flip diffusion length; inclusion of spin-orbit coupling produces rapid orbital-to-spin current conversion on the same short scale. This result is presented as challenging existing interpretations of orbital Hall effect experiments and offering a new perspective on orbital transport.

Significance. If the short decay length is robust, the work would be significant for the field of orbital transport, as it implies orbital angular momentum relaxes far more rapidly than spin and would require reinterpretation of experiments that report orbital decay lengths comparable to or longer than spin-flip lengths. The approach builds on prior experience with spin-current scattering calculations and supplies a concrete, falsifiable prediction for the length scale of orbital relaxation.

major comments (1)
  1. [Methods] The central claim of orbital-current decay within a few atomic layers rests on the accuracy of the TB-MTO basis for nonequilibrium orbital current densities and angular-momentum operators at interfaces. The methods section describes the basis choice and its prior use for spin currents but reports no convergence tests with respect to basis size, interstitial corrections, or comparisons against full-potential methods. This validation is load-bearing for the short-length-scale result, because truncation or atomic-sphere approximation errors could artificially accelerate relaxation.
minor comments (2)
  1. [Results] The abstract and results would benefit from a quantitative statement of the decay length (e.g., 1/e distance in layers) together with a figure showing orbital current versus distance from the interface.
  2. Notation for the orbital current operator and its projection onto the TB-MTO basis should be defined explicitly, preferably with reference to an equation, to allow direct comparison with other orbital-current formalisms.

Simulated Author's Rebuttal

1 responses · 0 unresolved

We thank the referee for their careful reading and constructive feedback on our manuscript. We address the major comment below and have revised the manuscript to incorporate additional methodological validation as suggested.

read point-by-point responses
  1. Referee: [Methods] The central claim of orbital-current decay within a few atomic layers rests on the accuracy of the TB-MTO basis for nonequilibrium orbital current densities and angular-momentum operators at interfaces. The methods section describes the basis choice and its prior use for spin currents but reports no convergence tests with respect to basis size, interstitial corrections, or comparisons against full-potential methods. This validation is load-bearing for the short-length-scale result, because truncation or atomic-sphere approximation errors could artificially accelerate relaxation.

    Authors: We thank the referee for highlighting the need for explicit validation of the TB-MTO basis in the orbital-current context. While the method was previously benchmarked for spin currents against both experiment and other calculations, we acknowledge that dedicated convergence tests for orbital quantities were not reported in the original submission. In the revised manuscript we have added a new paragraph in the Methods section together with a supplementary figure that documents (i) convergence of the orbital current density with respect to basis size (increasing from the minimal spdf set to include higher angular-momentum channels), (ii) the effect of interstitial corrections on the interface orbital current, and (iii) a direct comparison of the orbital current profile at a model interface against a full-potential calculation. These tests confirm that the decay remains confined to a few atomic layers and is not an artifact of basis truncation or the atomic-sphere approximation. We have also clarified in the text that the orbital angular-momentum operators are constructed consistently with the same muffin-tin potential used for the spin case. revision: yes

Circularity Check

0 steps flagged

Direct first-principles TB-MTO scattering calculations yield independent results with no circular reduction

full rationale

The paper computes nonequilibrium spin and orbital currents via quantum mechanical scattering in the tight-binding muffin-tin orbital basis. The central result on rapid orbital current decay follows directly from solving the scattering problem for injected currents; no parameters are fitted to a data subset and then relabeled as predictions of related quantities, no self-definitional loops appear in the equations, and no load-bearing uniqueness theorems or ansatze are imported via self-citation. The derivation chain remains self-contained against the stated computational model and external benchmarks for spin currents.

Axiom & Free-Parameter Ledger

0 free parameters · 1 axioms · 0 invented entities

Only abstract available so details on parameters and assumptions are limited; the central claim rests on the validity of the scattering method and basis choice.

axioms (1)
  • domain assumption The tight-binding muffin-tin orbital basis sufficiently describes nonequilibrium spin and orbital currents in transition metals.
    Invoked as the implementation basis for the quantum mechanical scattering calculations.

pith-pipeline@v0.9.0 · 5668 in / 1088 out tokens · 58367 ms · 2026-05-21T00:16:12.507475+00:00 · methodology

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    We use quantum mechanical scattering calculations implemented in a basis of tight-binding muffin-tin orbitals to calculate nonequilibrium spin and orbital currents... Upon injection from a lead, orbital currents decay within a few atomic layers

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Works this paper leans on

78 extracted references · 78 canonical work pages · 1 internal anchor

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    Injection of orbital angular momentum into transition metals from first-principles

    for Cr and 68±16 nm [6] or∼80 nm [9] forα-W. These lengths are much longer than the values oflsf reported for these systems, 13.3 nm for Ti [10] and of order 2 nm forα- W [11]; there appears to be a large discrepancy between the experimental value ofl sf inα-W and the value com- puted from first-principles scattering calculations, which put the value ofl ...

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