arxiv: 2604.26239 · v1 · submitted 2026-04-29 · ❄️ cond-mat.mtrl-sci

Recognition: unknown

Coexistence of d-Wave Altermagnetism and Topological States in Janus FeSeX (X = S, Te) Monolayers

Alvaro Gonzalez-Garcia , William Lopez-Perez , Paola Pacheco , Luz Ramirez-Montes , Rafael Gonzalez-Hernandez

Authors on Pith no claims yet

Pith reviewed 2026-05-07 13:32 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci

keywords altermagnetismJanus monolayerstopological statesspin-orbit couplingtwo-dimensional materialsFeSeSFeSeTespin Hall conductivity

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The pith

Janus FeSeX monolayers combine d-wave altermagnetism with a spin-orbit-induced topological gap.

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

The paper uses first-principles calculations to examine Janus FeSeX (X = S, Te) monolayers. Chemical asymmetry in the structure breaks out-of-plane mirror and inversion symmetries, which produces anisotropic exchange interactions and momentum-dependent spin splittings that define d-wave altermagnetism even without spin-orbit coupling. Phonon calculations show the monolayers are dynamically stable, and biaxial strain tunes the size of the altermagnetic splitting. Adding spin-orbit coupling opens a finite band gap at the Fermi level that carries quantized spin Hall conductivity plateaus together with nontrivial invariants given by spin Chern number 1 and Z2 = 1.

Core claim

The broken symmetries of the Janus FeSeX structure generate d-wave altermagnetism through momentum-dependent spin splittings in the absence of spin-orbit coupling. Inclusion of spin-orbit coupling opens a topological band gap at the Fermi level that produces quantized spin Hall conductivity plateaus and nontrivial topological invariants (spin Chern number = 1, Z2 = 1). Strain tunes the altermagnetic exchange splitting while phonon spectra confirm dynamical stability of both FeSeS and FeSeTe monolayers.

What carries the argument

The Janus chemical asymmetry that breaks out-of-plane mirror and inversion symmetries, thereby enabling anisotropic exchange interactions and momentum-dependent spin splittings without SOC that become topological under SOC.

If this is right

Biaxial strain efficiently tunes the magnitude of the altermagnetic exchange splitting.
Spin-orbit coupling produces a finite topological band gap at the Fermi level.
Quantized spin Hall conductivity plateaus and nontrivial invariants (spin Chern number 1, Z2 = 1) appear with spin-orbit coupling.
The monolayers function as two-dimensional platforms for topological altermagnetism and spin-orbit-driven charge-spin conversion.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

Angle-resolved photoemission spectroscopy or transport measurements could directly detect the predicted spin splitting without SOC and the SOC-induced gap.
Similar Janus asymmetry in other transition-metal chalcogenide monolayers might produce comparable coexistence of altermagnetism and topology.
Strain engineering of the splitting magnitude could be used to design devices that switch between altermagnetic and topological regimes.
The combination may support low-dissipation spintronic elements that exploit both the altermagnetic spin texture and topological protection.

Load-bearing premise

Standard first-principles DFT calculations correctly capture both the altermagnetic spin splitting without spin-orbit coupling and the SOC-driven topological gap plus invariants in these specific Janus monolayers.

What would settle it

Absence of momentum-dependent spin splitting in calculations or measurements without spin-orbit coupling, or failure to observe a gap at the Fermi level with quantized spin Hall conductivity when spin-orbit coupling is included, would falsify the coexistence claim.

Figures

Figures reproduced from arXiv: 2604.26239 by Alvaro Gonzalez-Garcia, Luz Ramirez-Montes, Paola Pacheco, Rafael Gonzalez-Hernandez, William Lopez-Perez.

**Figure 1.** Figure 1: FIG. 1. Phonon dispersion relations of a) FeSeS and b) FeS view at source ↗

**Figure 2.** Figure 2: FIG. 2. (Color online) Strain-tunable altermagnetism in Janus FeSeS. (Top) Spin-polarized band structures for selected in view at source ↗

**Figure 3.** Figure 3: FIG. 3. (Color online) Strain-tunable altermagnetism in Janus FeSeTe. (Top) Spin-polarized band structures for representative view at source ↗

**Figure 4.** Figure 4: FIG. 4. (Color online) Spin–orbit–coupled electronic and topological properties of FeSeX (X = S, Te) Janus monolayers. view at source ↗

**Figure 5.** Figure 5: FIG. 5. Spin-polarized edge modes in FeSeX (X = S, Te) view at source ↗

read the original abstract

The interplay between unconventional magnetism and band topology in two-dimensional materials has emerged as an important theme in condensed matter physics. Here, we present first-principles calculations that reveal the coexistence of d-wave altermagnetism and topological behavior in Janus FeSeX (X = S, Te) monolayers. The chemical asymmetry of the Janus structure breaks both out-of-plane mirror and inversion symmetries, leading to anisotropic exchange interactions and momentum-dependent spin splittings even in the absence of spin-orbit coupling, the defining signature of altermagnetism. Phonon dispersion analyses confirm the dynamical stability of both compounds, while strain-dependent calculations demonstrate that the magnitude of the altermagnetic exchange splitting ($\Delta_s$) can be efficiently tuned by biaxial strain. When spin-orbit coupling is included, a finite topological band gap emerges at the Fermi level, accompanied by quantized spin Hall conductivity plateaus and nontrivial topological invariants (spin Chern number = 1, Z2=1). These findings establish FeSeS and FeSeTe as promising two-dimensional platforms for realizing topological altermagnetism and spin--orbit--driven charge--spin conversion, thus opening new avenues for low-dissipation spintronic devices.

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.

Desk Editor's Note private letter to a colleague

This is a standard DFT prediction that flags FeSeS and FeSeTe Janus monolayers for d-wave altermagnetism coexisting with an SOC-driven topological gap, but the results rest on untested assumptions about Fe 3d correlations.

read the letter

The two things your colleague should know are that this paper predicts d-wave altermagnetism together with topological invariants in the Janus FeSeS and FeSeTe monolayers, and that those predictions come from standard first-principles calculations whose robustness against electron correlations is not checked. What is new is the specific choice of these two compositions. The Janus structure is used to break the necessary symmetries for altermagnetism, and the calculations then add SOC to open a gap with spin Chern number 1 and Z2=1. Prior papers on altermagnets or 2D topology have not highlighted these exact monolayers. The paper does the expected checks competently. It reports phonon dispersions that confirm dynamical stability and shows that biaxial strain can tune the altermagnetic exchange splitting. With SOC included, it finds a finite gap at the Fermi level along with the quantized spin Hall conductivity plateaus and the nontrivial invariants. These steps make the claim concrete rather than hand-wavy. The soft spot is the assumption that plain DFT captures the physics accurately enough. In Fe-based 2D systems, correlations in the 3d states can shift bands by hundreds of meV and change small gaps or the topological character. The work does not mention Hubbard U corrections or hybrid functionals, so if the SOC gap is only a few meV the result could be sensitive to that choice. Without seeing detailed band structures or convergence tests, it is also hard to gauge how solid the invariants are. This paper is for people scanning for new 2D material candidates in spintronics or topological magnetism. A reader who wants concrete systems to model further or attempt to fabricate would get some value from the predictions and the strain dependence. It deserves a serious referee. The claims are specific and the calculations are of the type that can be reproduced and critiqued on technical grounds.

Referee Report

2 major / 2 minor

Summary. The manuscript uses first-principles DFT calculations to show that Janus FeSeX (X = S, Te) monolayers exhibit d-wave altermagnetism via momentum-dependent spin splittings in the absence of SOC, arising from broken out-of-plane mirror and inversion symmetries. Phonon dispersions are reported to confirm dynamical stability, biaxial strain is shown to tune the altermagnetic exchange splitting Δ_s, and inclusion of SOC is claimed to open a finite topological gap at the Fermi level with quantized spin Hall conductivity plateaus and nontrivial invariants (spin Chern number = 1, Z2 = 1).

Significance. If the central claims hold, the work identifies a new family of 2D Janus monolayers that combine d-wave altermagnetism with SOC-driven topology, offering a platform for spin-orbit-driven charge-spin conversion and low-dissipation spintronics. The strain tunability of the altermagnetic splitting adds practical interest. The direct first-principles approach (without fitted parameters) is a methodological strength for reproducibility.

major comments (2)

[computational methodology and results] Computational details / results sections: The calculations rely on standard DFT without any Hubbard U correction or hybrid functional for the Fe 3d states. In Fe-based monolayers, moderate correlations routinely shift bands by hundreds of meV and can close or reopen small gaps, directly impacting the reported SOC-induced topological gap size and the parity of occupied states that determine the spin Chern number and Z2 invariant. Explicit tests with U > 0 or HSE06 are needed to establish robustness of the invariants.
[results on SOC and topology] Results section on topological properties: The abstract and main text assert a finite topological gap with quantized spin Hall conductivity and invariants (spin Chern number = 1, Z2 = 1) once SOC is included, yet no band-structure plots, gap values, or explicit Wannier-function or parity-based invariant calculations are referenced. Without these, it is impossible to verify that the gap is at E_F and that the invariants are correctly evaluated rather than assumed from symmetry.

minor comments (2)

[introduction and results] The definition of d-wave altermagnetism should be explicitly linked to the observed spin-splitting symmetry (e.g., via the form of the exchange interaction or spin texture in the Brillouin zone) rather than stated only qualitatively.
[stability analysis] Phonon dispersion results are cited for stability but lack quantitative details (e.g., maximum imaginary frequency or supercell size used); adding these would improve clarity.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for the positive assessment of our work and the constructive comments, which will help strengthen the manuscript. We address each major comment point by point below.

read point-by-point responses

Referee: Computational details / results sections: The calculations rely on standard DFT without any Hubbard U correction or hybrid functional for the Fe 3d states. In Fe-based monolayers, moderate correlations routinely shift bands by hundreds of meV and can close or reopen small gaps, directly impacting the reported SOC-induced topological gap size and the parity of occupied states that determine the spin Chern number and Z2 invariant. Explicit tests with U > 0 or HSE06 are needed to establish robustness of the invariants.

Authors: We appreciate this valid concern regarding the treatment of electronic correlations in Fe-based materials. Our calculations were performed using the PBE exchange-correlation functional, as is common in studies of 2D magnetic materials. To verify the robustness of our results, we will include in the revised manuscript additional DFT+U calculations with an effective U applied to the Fe 3d states. These calculations confirm that the momentum-dependent spin splittings characteristic of d-wave altermagnetism are preserved, and the SOC-induced gap at the Fermi level remains finite with the same topological invariants. We will add a supplementary figure showing the band structures with and without U to demonstrate this. While full HSE06 calculations are computationally demanding for the strained structures, the consistency between PBE and PBE+U supports the reliability of our conclusions. revision: yes
Referee: Results section on topological properties: The abstract and main text assert a finite topological gap with quantized spin Hall conductivity and invariants (spin Chern number = 1, Z2 = 1) once SOC is included, yet no band-structure plots, gap values, or explicit Wannier-function or parity-based invariant calculations are referenced. Without these, it is impossible to verify that the gap is at E_F and that the invariants are correctly evaluated rather than assumed from symmetry.

Authors: We regret that the supporting data were not sufficiently highlighted. The electronic band structures without and with SOC are shown in the results section, clearly demonstrating the opening of a gap at the Fermi level upon inclusion of SOC. The spin Hall conductivity plots exhibit the quantized plateaus. The topological invariants were explicitly calculated using the parity eigenvalue method at the time-reversal invariant momenta and cross-checked with Wannier function based methods. Details are in the Computational Methods section. We will ensure that the text explicitly references these plots and the calculation procedures in the revised version. revision: partial

Circularity Check

0 steps flagged

No circularity: direct DFT outputs with no reductions by construction

full rationale

The paper's central claims rest on standard first-principles DFT computations of band structures (with and without SOC), phonon dispersions for stability, strain effects on exchange splitting, and direct evaluation of topological invariants (spin Chern number, Z2). No equations or procedures reduce the reported altermagnetic splitting, topological gap, or quantized conductivities to parameters fitted against those same quantities. No self-citations are invoked as load-bearing justifications for uniqueness theorems or ansatzes, and the provided text contains no self-definitional loops, fitted-input renamings, or imported uniqueness results. The derivation is self-contained as a computational materials study whose outputs are independent of the target observables by construction.

Axiom & Free-Parameter Ledger

1 free parameters · 1 axioms · 0 invented entities

The central claim rests on the assumption that density-functional theory reliably describes both magnetism and topology in these 2D systems; no new entities are postulated and no ad-hoc parameters beyond standard DFT choices are introduced.

free parameters (1)

Exchange-correlation functional and Hubbard U (if used)
Choice of functional directly affects predicted magnetic splittings and band gaps; value not stated in abstract.

axioms (1)

domain assumption DFT with standard approximations captures the essential physics of altermagnetic exchange and SOC-induced topology in FeSeX monolayers.
Invoked implicitly throughout the first-principles results section of the abstract.

pith-pipeline@v0.9.0 · 5539 in / 1290 out tokens · 48471 ms · 2026-05-07T13:32:18.386947+00:00 · methodology

discussion (0)

Reference graph

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