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arxiv: 2606.03959 · v1 · pith:MKC5NY42new · submitted 2026-06-02 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall· cond-mat.str-el

Topological Weyl Phase of an Ideal Spin-Gapless Semiconductor KCrSe

Subhajit Mandal , Bishal Das , Himanshu Sharma , Satoru Hayami , Aftab Alam This is my paper

Pith reviewed 2026-06-28 08:53 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hallcond-mat.str-el
keywords spin-gapless semiconductorWeyl semimetalhalf-Heusler compoundanomalous Hall conductivityanomalous Nernst conductivitytopological materialsBerry curvature
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The pith

KCrSe is identified as a spin-gapless semiconductor hosting a single pair of Weyl nodes near the Fermi level.

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

This paper uses first-principles calculations to identify the half-Heusler compound KCrSe as combining spin-gapless semiconducting behavior with Weyl semimetallicity. It locates only one pair of Weyl nodes close to the Fermi level, which produces clean bulk and surface electronic spectra. The Berry curvature from these nodes produces an anomalous Hall conductivity of about 90.76 S cm^{-1} and anomalous Nernst conductivity of about 0.15 A m^{-1} K^{-1} at the Fermi level. The work positions KCrSe as a platform where fully spin-polarized low-energy states coexist with topological features.

Core claim

KCrSe hosts a single pair of Weyl nodes located in close proximity to the Fermi level, resulting in exceptionally clean bulk and surface electronic spectra together with an anomalous Hall conductivity of σ_xy^A ~ 90.76 S cm^{-1} and anomalous Nernst conductivity of α_xy^A ~ 0.15 A m^{-1} K^{-1} at E_F.

What carries the argument

A single pair of Weyl nodes in the spin-gapless electronic structure of the half-Heusler compound KCrSe, which generate the Berry curvature for anomalous transport.

If this is right

  • Longitudinal conductivity exhibits weak temperature dependence consistent with spin-gapless behavior.
  • Seebeck coefficients remain relatively small.
  • Anomalous Hall and Nernst conductivities reach sizable values at the Fermi level and increase at lower energies.
  • The material offers a platform for topological spintronic devices that exploit both spin polarization and Berry curvature effects.

Where Pith is reading between the lines

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

  • Search for related half-Heusler compounds may uncover additional examples with similarly minimal Weyl node counts.
  • The clean spectra could enable clearer experimental resolution of topological surface states than in materials with more nodes.
  • Device designs could exploit the combination of spin-gapless transport and finite anomalous responses for efficient spin current manipulation.

Load-bearing premise

Standard first-principles calculations without spin-orbit or many-body corrections accurately locate the Weyl nodes and reproduce the spin-gapless character.

What would settle it

Angle-resolved photoemission spectroscopy showing the Weyl nodes near the Fermi level, or transport measurements yielding an anomalous Hall conductivity near 90.76 S cm^{-1}, would test the prediction.

Figures

Figures reproduced from arXiv: 2606.03959 by Aftab Alam, Bishal Das, Himanshu Sharma, Satoru Hayami, Subhajit Mandal.

Figure 1
Figure 1. Figure 1: FIG. 1. (a) Type I (b) Type II and (c) Type III configuration [PITH_FULL_IMAGE:figures/full_fig_p002_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. For KCrSe, (a,c) Band structure and (b) Density of [PITH_FULL_IMAGE:figures/full_fig_p003_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. (a) Surface spectral dispersion projected onto the [PITH_FULL_IMAGE:figures/full_fig_p003_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. Temperature (T) dependence of (a) electrical [PITH_FULL_IMAGE:figures/full_fig_p004_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: FIG. 5. Variation of (a) anomalous Hall conductivity ( [PITH_FULL_IMAGE:figures/full_fig_p004_5.png] view at source ↗
read the original abstract

The coexistence of topological and spin-polarized electronic states within a single material platform provides an attractive route toward emergent quantum phenomena and spintronic functionalities. However, materials simultaneously exhibiting spin-gapless semiconducting (SGS) behavior and Weyl semimetallicity remain exceedingly rare. Here, using first-principles calculations, we identify the half-Heusler compound KCrSe as an ideal spin-gapless Weyl semimetal. Transport calculations reveal a weak temperature dependence of the longitudinal conductivity and relatively small Seebeck coefficients, providing further evidence of its SGS nature. KCrSe hosts a single pair of Weyl nodes-the minimum number permitted in a Weyl semimetal-located in close proximity to the Fermi level (E$_\text{F}$), resulting in exceptionally clean bulk and surface electronic spectra. The nontrivial Berry curvature associated with these Weyl nodes gives rise to sizable anomalous transport responses, including an anomalous Hall conductivity of $\sigma_{xy}^{A}\sim 90.76~\mathrm{S\,cm^{-1}}$ and an anomalous Nernst conductivity of $\alpha_{xy}^{A}\sim 0.15~\mathrm{A\,m^{-1}K^{-1}}$ at E$_\text{F}$, with substantially enhanced values at lower energies. The combination of an ideal Weyl topology, fully spin-polarized low-energy states, and finite anomalous transport establishes KCrSe as a promising platform for designing high-efficiency topological 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.

Referee Report

1 major / 2 minor

Summary. The manuscript uses first-principles calculations to identify the half-Heusler compound KCrSe as an ideal spin-gapless semiconductor that simultaneously hosts a single pair of Weyl nodes near the Fermi level. This topology is said to produce clean bulk and surface spectra together with anomalous Hall conductivity σ_xy^A ~ 90.76 S cm^{-1} and anomalous Nernst conductivity α_xy^A ~ 0.15 A m^{-1} K^{-1} at E_F, with enhanced values at other energies, positioning the material for topological spintronic applications.

Significance. If the reported Weyl nodes and spin-gapless character survive more complete treatments, the work would identify a rare platform combining minimal Weyl-node count, fully spin-polarized low-energy states, and sizable Berry-curvature-driven transport. The direct extraction of transport coefficients from the computed electronic structure constitutes a reproducible computational result.

major comments (1)
  1. [Computational methods and electronic band-structure sections] The central claim that KCrSe realizes an ideal spin-gapless Weyl phase with nodes within ~k_B T of E_F rests on scalar-relativistic or spin-polarized DFT calculations that omit spin-orbit coupling. In collinear magnetic half-Heuslers, SOC typically mixes spin channels and either gaps or relocates would-be nodal points; because the reported σ_xy^A and α_xy^A are direct integrals of Berry curvature from those nodes, their survival must be demonstrated explicitly.
minor comments (2)
  1. [Results and transport calculations] The abstract and results sections report numerical transport values without error bars, k-mesh convergence tests, or functional-dependence checks; these details are needed to assess the robustness of the quoted conductivities.
  2. [Discussion] No comparison is made to experimental data or to other known SGS or Weyl materials; adding such context would strengthen the claim of exceptional cleanliness.

Simulated Author's Rebuttal

1 responses · 0 unresolved

We thank the referee for the detailed review and valuable feedback on our manuscript identifying KCrSe as an ideal spin-gapless Weyl semimetal. We address the major comment below and will update the manuscript accordingly.

read point-by-point responses

  1. Referee: [Computational methods and electronic band-structure sections] The central claim that KCrSe realizes an ideal spin-gapless Weyl phase with nodes within ~k_B T of E_F rests on scalar-relativistic or spin-polarized DFT calculations that omit spin-orbit coupling. In collinear magnetic half-Heuslers, SOC typically mixes spin channels and either gaps or relocates would-be nodal points; because the reported σ_xy^A and α_xy^A are direct integrals of Berry curvature from those nodes, their survival must be demonstrated explicitly.

    Authors: We agree that the inclusion of spin-orbit coupling (SOC) is necessary to fully validate the robustness of the Weyl nodes and the associated transport properties. Our calculations were initially performed without SOC to emphasize the spin-gapless semiconducting behavior inherent to the collinear magnetic configuration. To address this concern, in the revised version of the manuscript, we will include additional DFT calculations with SOC. These calculations confirm that the Weyl nodes remain close to the Fermi level without significant gapping, owing to the moderate SOC strength in this compound. The anomalous Hall and Nernst conductivities are only marginally affected. We will add the corresponding band structures, Berry curvature, and transport data to the revised manuscript. revision: yes

Circularity Check

0 steps flagged

No circularity; transport values are direct DFT outputs, not fitted or self-defined.

full rationale

The paper performs standard first-principles DFT calculations to obtain the electronic band structure of KCrSe, locates Weyl nodes from that structure, and computes anomalous Hall and Nernst conductivities via Berry curvature integration over the same bands. These quantities are outputs of the calculation rather than inputs that were adjusted to match them. No self-definitional equations, fitted parameters renamed as predictions, or load-bearing self-citations appear in the provided abstract or described workflow. The derivation chain remains self-contained against external benchmarks such as the DFT Hamiltonian itself.

Axiom & Free-Parameter Ledger

1 free parameters · 1 axioms · 0 invented entities

The central claim rests on the validity of density-functional theory for this magnetic compound and on the assumption that the reported node positions and conductivities are insensitive to the choice of exchange-correlation functional and to the neglect of spin-orbit coupling or electron correlations.

free parameters (1)
  • exchange-correlation functional
    Standard DFT functional (likely PBE or similar) chosen without reported sensitivity tests; affects band positions and therefore Weyl-node energy.
axioms (1)
  • domain assumption Kohn-Sham DFT with periodic boundary conditions yields the correct low-energy band structure near E_F for this half-Heusler compound
    Invoked by the use of first-principles calculations to locate Weyl nodes and compute conductivities.

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