Fully compensated and uncompensated ferrimagnetic ferrovalley semiconductors

Huayan Xia; Hui Wang; Libo Wang; Weifeng Xie; Xiong Xu; Yunliang Yue

arxiv: 2604.15640 · v1 · submitted 2026-04-17 · ❄️ cond-mat.mtrl-sci

Fully compensated and uncompensated ferrimagnetic ferrovalley semiconductors

Weifeng Xie , Libo Wang , Yunliang Yue , Xiong Xu , Huayan Xia , Hui Wang This is my paper

Pith reviewed 2026-05-10 08:35 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci

keywords valleypolarizationferrimagneticmagneticaltermagnetscompensatedferrovalleyfully

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The pith

Uniaxial strain converts altermagnets to ferrimagnets with correlated valley polarization; monolayer VCrSeTeO shows intrinsic valley polarization exceeding 400 meV under strain plus SOC, accompanied by reversed valley Hall voltage within the same valley.

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

Altermagnets are a class of magnetic materials that behave like a mix of antiferromagnets and ferromagnets. Researchers found that stretching these materials along one direction changes their magnetic ordering into a fully compensated ferrimagnetic state. This change creates an energy difference between electronic states at different points in momentum space, known as valley polarization. The team identifies a specific atomically thin material, VCrSeTeO, that naturally shows strong valley polarization. Adding the interaction between electron spin and orbital motion makes this polarization even larger, reaching more than 400 millielectronvolts when strain is applied. They also report an unusual electrical response where the direction of valley current reverses inside the same valley.

Core claim

We propose an uncompensated ferrimagnetic monolayer VCrSeTeO to achieve large intrinsic valley polarization. Spin-orbit coupling (SOC) is shown to further increase the valley polarization to over 400 meV under uniaxial strains and the reason is explained in terms of SOC perturbation theorem. Furthermore, we reveal a distinctive anomalous valley Hall effect in which the valley Hall voltage is reversed within the same valley in ferrimagnet VCrSeTeO.

Load-bearing premise

The central claims rest on the assumption that density-functional-theory calculations accurately capture the magnetic ordering, valley polarization, and strain response in the proposed VCrSeTeO monolayer without experimental confirmation or higher-level methods to validate the large SOC-enhanced values.

Figures

Figures reproduced from arXiv: 2604.15640 by Huayan Xia, Hui Wang, Libo Wang, Weifeng Xie, Xiong Xu, Yunliang Yue.

**Figure 1.** Figure 1: Top and side views of monolayers (a) V2Se2O and (b) V2SeTeO, where the black dashed box represents the unit cell and the gray dashed line represents the diagonal mirror plane, thick red and blue arrows denote opposite local magnetic moments on the corresponding V atoms. Valley polarization of uppermost valence band (UVB) and net magnetic moment between V atoms in different spin sublattices (Δ𝑀(V1 − V2 )) a… view at source ↗

**Figure 2.** Figure 2: Hopping integrations between d orbitals of V atom (V1, V2) and p orbitals of surrounding Se atoms as well as the net magnetic moment (Δ𝑀(V1 − V2 )) as functions of uniaxial strains along a-axis in monolayer V2Se2O [PITH_FULL_IMAGE:figures/full_fig_p008_2.png] view at source ↗

read the original abstract

Altermagnets (AMs) and fully compensated ferrimagnets (FC-FIMs) are emerging classes of magnetic materials that combine the advantages of antiferromagnets and ferromagnets. Here, we elucidate the mechanism behind the uniaxial strain-driven transformation from AM to FC-FIM and find that the accompanying non-relativistic valley polarization is positively correlated with the net magnetic moment between magnetic atoms in opposite spin sublattices. We then propose an uncompensated ferrimagnetic monolayer VCrSeTeO to achieve large intrinsic valley polarization. Spin-orbit coupling (SOC) is shown to further increase the valley polarization to over 400 meV under uniaxial strains and the reason is explained in terms of SOC perturbation theorem. Furthermore, we reveal a distinctive anomalous valley Hall effect in which the valley Hall voltage is reversed within the same valley in ferrimagnet VCrSeTeO. This work proposes a strategy for realizing giant valley polarization and provides theoretical guidance for the application of ferrimagnetic ferrovalley semiconductors derived from altermagnets in valleytronics.

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

VCrSeTeO is a reasonable computational candidate for strain-tunable valley polarization in an uncompensated ferrimagnet, but the >400 meV numbers come from plain PBE+SOC without validation.

read the letter

The paper proposes VCrSeTeO as an uncompensated ferrimagnetic monolayer that combines large intrinsic valley polarization with a reversed anomalous valley Hall effect under uniaxial strain. It also maps out how strain converts an altermagnet into a fully compensated ferrimagnet and then an uncompensated one, with valley polarization tracking the net moment between opposite-spin sublattices. The SOC perturbation argument for why strain boosts the splitting is a straightforward way to interpret the band shifts. These pieces give a concrete design rule for ferrimagnetic ferrovalley materials derived from altermagnets, which is the main new element beyond existing literature on the parent classes. The calculations appear internally consistent on their own terms and the Berry-curvature analysis for the Hall reversal follows standard practice. The main limitation is that all quantitative claims rest on PBE+SOC DFT with no reported hybrid-functional, GW, or convergence checks. In transition-metal chalcogenides this functional commonly overestimates valley splittings, so the 400 meV figure and the precise reversal mechanism could shift under better methods. No experimental cross-check or transport simulation is shown either. Readers in 2D magnetic materials and valleytronics will find the material candidate and strain rule worth looking at, even if they plan to rerun the numbers themselves. The work is clear enough and the calculations are reproducible in principle, so it deserves a serious referee rather than a desk reject.

Circularity Check

0 steps flagged

No significant circularity; results from direct DFT computations on proposed material.

full rationale

The paper's central claims rest on explicit first-principles DFT calculations of the electronic structure, magnetic ordering, and Berry curvature in the proposed VCrSeTeO monolayer under strain. The positive correlation between non-relativistic valley polarization and net magnetic moment emerges numerically from those calculations across configurations rather than being imposed by definition or fitting. The >400 meV SOC-enhanced value is a direct output of PBE+SOC runs, with the perturbation-theorem explanation serving as post-hoc interpretation rather than a load-bearing derivation step. No self-citation chain, ansatz smuggling, or renaming of known results is required for the quantitative predictions; the anomalous valley Hall reversal follows from computed quantities. The derivation is therefore self-contained against standard DFT methodology and does not reduce to its inputs by construction.

Axiom & Free-Parameter Ledger

2 free parameters · 2 axioms · 0 invented entities

The work relies on standard density-functional theory assumptions for magnetic 2D materials; no new entities are postulated, but several computational parameters are implicit.

free parameters (2)

uniaxial strain magnitude
Specific strain values are applied to induce the AM-to-FC-FIM transition and maximize valley polarization; these are chosen or scanned rather than derived from first principles.
Hubbard U or similar correlation parameters
Typical in DFT studies of transition-metal compounds to stabilize magnetic moments; values are not stated in abstract but required for the reported ordering.

axioms (2)

domain assumption Density functional theory with chosen functionals and parameters accurately reproduces the magnetic ground state and electronic band structure of the proposed monolayer.
Invoked implicitly to support all quantitative predictions of valley polarization and Hall effect.
domain assumption The SOC perturbation theorem applies directly to explain the increase in valley polarization under strain.
Used to interpret the SOC enhancement without additional derivation shown in abstract.

pith-pipeline@v0.9.0 · 5498 in / 1611 out tokens · 39243 ms · 2026-05-10T08:35:02.488272+00:00 · methodology

discussion (0)

Reference graph

Works this paper leans on

60 extracted references · 60 canonical work pages

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ferrovalley

Introduction Traditional collinear magnetic materials are categorized into ferromagnets (FM), ferrimagnets (FIM), and antiferromagnets (AFM). Their key distinction lies in the magnitude and orientation of magnetic moments in different spin sublattices [1]. Recently, two specific classes of collinear magnetic materials —characterized by zero net magnetic m...

work page
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A plane-wave cutoff energy of 560 eV is used consistently throughout the calculations

Computational methods Vienna ab initio simulation package (V ASP) [38] based on density functional theory is used in the calculations, where the projector augmented wave method [39] and the Perdew-Burke-Ernzerhof (PBE) [40] exchange-correlation functional within the generalized gradient approximation are employed. A plane-wave cutoff energy of 560 eV is u...

work page
[3]

Results and Discussion Monolayers V 2Se2O and Janus V 2SeTeO are identified as prototypical two - dimensional AMs. Their hallmark feature —uniaxial strain -driven nonrelativistic valley polarization (defined as Δ𝐸𝑐(𝑣) = 𝐸𝑐(𝑣)(X) − 𝐸𝑐(𝑣)(Y) )—renders these tetragonal monolayers as prominent piezovalley materials [9,42]. Top and side views of monolayers V 2...

work page
[4]

This phenomenon demonstrates that SOC also exerts a significant impact on valley polarization when magnetizations are oriented along [010] and [100]

magnetization, while the band with [001] magnetization shows nearly unchanged valley polarization. This phenomenon demonstrates that SOC also exerts a significant impact on valley polarization when magnetizations are oriented along [010] and [100]. Especially, [010] magnetization enhances the valley polarization by nearly 30%, yielding a valley polarizati...

work page
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work page
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Conclusion In summary, first-principles calculations reveal that the valley polarization induced by uniaxial strain in two -dimensional AMs correlates with the net magnetic moment between magnetic atoms belonging to opposite spin sublattices of FC -FIM. Based on this correlation, we propose a strategy for achieving giant valley polarization : substituting...

work page
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12504071), the Natural Science Foundation of Hunan Province (Grant No

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[1] [1]

ferrovalley

Introduction Traditional collinear magnetic materials are categorized into ferromagnets (FM), ferrimagnets (FIM), and antiferromagnets (AFM). Their key distinction lies in the magnitude and orientation of magnetic moments in different spin sublattices [1]. Recently, two specific classes of collinear magnetic materials —characterized by zero net magnetic m...

work page

[2] [2]

A plane-wave cutoff energy of 560 eV is used consistently throughout the calculations

Computational methods Vienna ab initio simulation package (V ASP) [38] based on density functional theory is used in the calculations, where the projector augmented wave method [39] and the Perdew-Burke-Ernzerhof (PBE) [40] exchange-correlation functional within the generalized gradient approximation are employed. A plane-wave cutoff energy of 560 eV is u...

work page

[3] [3]

Results and Discussion Monolayers V 2Se2O and Janus V 2SeTeO are identified as prototypical two - dimensional AMs. Their hallmark feature —uniaxial strain -driven nonrelativistic valley polarization (defined as Δ𝐸𝑐(𝑣) = 𝐸𝑐(𝑣)(X) − 𝐸𝑐(𝑣)(Y) )—renders these tetragonal monolayers as prominent piezovalley materials [9,42]. Top and side views of monolayers V 2...

work page

[4] [4]

This phenomenon demonstrates that SOC also exerts a significant impact on valley polarization when magnetizations are oriented along [010] and [100]

magnetization, while the band with [001] magnetization shows nearly unchanged valley polarization. This phenomenon demonstrates that SOC also exerts a significant impact on valley polarization when magnetizations are oriented along [010] and [100]. Especially, [010] magnetization enhances the valley polarization by nearly 30%, yielding a valley polarizati...

work page

[5] [5]

+ 𝜆 2 𝑆̂−′ (−𝐿̂ 𝑧 𝑠𝑖𝑛 𝜃 + 𝐿̂ +𝑒−𝑖𝜑 𝑐𝑜𝑠2 𝜃 2 − 𝐿̂ −𝑒𝑖𝜑 𝑠𝑖𝑛2 𝜃

work page

[6] [6]

Table I summarizes the coupling relationships between different p-orbitals under the action of 𝛨̂ 𝑆𝑂𝐶

, where 𝛨̂ 𝑆𝑂𝐶 and 𝛨̂ 𝑆𝑂𝐶 ′ are spin-conserving and spin-non-conserving SOC Hamiltonian, respectively, 𝜆 represents the SOC coefficient, 𝑆̂𝑧′ and 𝐿̂ 𝑧 represent the 𝑧′ or z components of spin and orbital angular momentum, respectively, 𝜃 and 𝜑 are the polar angle and azimuthal angle of the spin, respectively, and the ladder operators are given by 𝐿̂ ± = 𝐿...

work page

[7] [7]

directions, respectively. The MAE is expressed as 𝐸[001] − 𝐸[010] = 463.08 μeV, indicating that an external magnetic field can readily switch the magnetization from the magnetic easy axis ([010] direction) to [001] and [001̄ ] directions. The band structures and the distribution of Berry curvature at high -symmetry points for magnetizations along [001] an...

work page

[8] [8]

Conclusion In summary, first-principles calculations reveal that the valley polarization induced by uniaxial strain in two -dimensional AMs correlates with the net magnetic moment between magnetic atoms belonging to opposite spin sublattices of FC -FIM. Based on this correlation, we propose a strategy for achieving giant valley polarization : substituting...

work page

[9] [9]

12504071), the Natural Science Foundation of Hunan Province (Grant No

Acknowledgments This work was supported by the National Natural Science Foundation of China (Grants No. 12504071), the Natural Science Foundation of Hunan Province (Grant No. 2026JJ60129), the Changsha Natural Science Foundation (Grant No. kg2502211), the National College Student Innovation Training Program Project ( Grant No. 202510554047), the Postdocto...

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B. D. Cullity and C. D. Graham, Introduction to Magnetic Materials (John Wiley & Sons, 2011)

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Šmejkal, J

L. Šmejkal, J. Sinova, and T. Jungwirth, Beyond Conventional Ferromagnetism and Antiferromagnetism: A Phase with Nonrelativistic Spin and Crystal Rotation Symmetry, Phys. Rev. X 12, 031042 (2022)

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Šmejkal, J

L. Šmejkal, J. Sinova, and T. Jungwirth, Emerging Research Landscape of Altermagnetism, Phys. Rev. X 12, 040501 (2022)

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Liu, S.-D

Y . Liu, S.-D. Guo, Y . Li, and C. -C. Liu, Two -Dimensional Fully Compensated Ferrimagnetism, Phys. Rev. Lett. 134, 116703 (2025)

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