arXiv subjects

Igor I. Mazin

Publications and source records attributed to Igor I. Mazin.

At least 19 recordsLinked to original sources

arXiv2026

Comment on "Andreev Reflection to Probe Momentum-Dependent Spin Polarization in Altermagnet CrSb"

Zhang et al. [Phys. Rev. Lett. 137, 016701 (2026)] report momentum-dependent spin polarization in the altermagnet CrSb from point-contact Andreev reflection along the (0001), (-1-120), and (10-10) directions. We show that the Andreev spin polarization they claim to measure is forbidden by symmetry: it vanishes identically in the diffusive regime for all directions in CrSb, and in the ballistic regime for two of the three orientations measured. It is allowed only along one direction, where the calculated band structure gives ~50%. The large, nearly isotropic values reported follow from an incorrect definition of ballistic Andreev spin polarization that evaluates the spin asymmetry at fixed three-dimensional momentum; the Andreev selection rule is local only in the momentum component parallel to the interface. Moreover, the ballistic regime is not demonstrated, and the fitting procedure is flawed.

cond-mat.supr-con↗

arXiv2026

Raman spectroscopy of the van der Waals altermagnet Co$_{1/4}$NbSe$_2$

We investigate the influence of Co intercalation and altermagnetic order on the lattice dynamics of the layered compound Co$_{1/4}$NbSe$_2$. Polarization-resolved Raman spectroscopy, supported by density-functional theory, enables identification of six Raman-active phonons. Co intercalation drives a substantial reconstruction of the vibrational spectrum through zone folding of NbSe$_2$ phonons, producing hybridized modes with mixed zone-center and zone-boundary character. Despite this, Co atoms do not participate in any Raman-active modes by symmetry, which is in marked contrast to related $1/3$ compounds where intercalant modes do contribute to the Raman spectrum. Temperature-dependent Raman measurements across the altermagnetic transition show no discontinuities, which is consistent with magnetic fluctuations persisting above the Néel temperature. However, we find evidence for spin-phonon coupling in $A_{1g}$ symmetry modes owing to their out-of-plane Se displacements. Our work demonstrates the substantial impact of intercalation on the vibrational properties of transition metal dichalcogenides and the presence of spin-phonon interactions in a newly discovered altermagnetic material.

cond-mat.mtrl-sci↗

arXiv2026

Near-degenerate competing magnetic orders in EuAgAs: a tunable route to altermagnetism

Altermagnets (AMs) have recently emerged as a distinct magnetic class bridging central features of ferromagnets (FMs) and antiferromagnets (AFMs), offering new opportunities for spin-based electronics. While they possess zero net magnetization like collinear AFMs, they simultaneously exhibit momentum-dependent spin splitting long thought exclusive to FMs. Despite intense theoretical interest, experimentally accessible materials hosting both altermagnetism and nontrivial band topology remain scarce. EuAgAs, crystallizing in space group $P6_3/mmc$, was previously identified via density functional theory (DFT) as a bulk altermagnetic Dirac semimetal. Contrary to these predictions, our neutron diffraction experiments reveal that the bulk ground state adopts a $\mathbf{q} = (0,0,\tfrac{1}{2})$ AFM structure with an in-plane $\uparrow\uparrow\downarrow\downarrow$ spin sequence. Systematic DFT calculations, however, uncover a remarkable near-degeneracy among competing magnetic orders: the FM and AM configurations lie only $0.11$ and $0.40~\text{meV/f.u.}$ above the AFM ground state, respectively. We further show that while a simple Heisenberg model favors a spin-spiral ground state, the inclusion of non-Heisenberg biquadratic coupling stabilizes the observed commensurate AFM phase. This near-degeneracy renders the magnetic state highly tunable, with DFT predicting a transition to the altermagnetic phase under hydrostatic pressure at approximately $14 \text{ GPa}$, establishing EuAgAs as a controllable platform for accessing topological altermagnetism.

cond-mat.mtrl-sci↗

arXiv2026

Correlation-Driven Spin Reorientation via Competing Anisotropy Channels in CrPS4

We identify a correlation-driven mechanism for the temperature-induced spin reorientation in the quasi-one-dimensional van der Waals antiferromagnet CrPS4. Magnetic pair distribution function (mPDF) analysis resolves the local spin direction and shows that ferromagnetic intrachain correlations persist far above TN. Combining these correlations with a DFT-derived spin Hamiltonian reveals competing single-ion and exchange-anisotropy channels, with single-ion anisotropy remaining local while exchange anisotropy is renormalized as intersite correlations decay. This differential renormalization rotates the effective easy axis and captures the ordered-state canting. Above TN, the continued rotation beyond the model prediction delineates the limits of the dominant-chain approximation. These results establish mPDF-derived correlations as direct inputs to microscopic Hamiltonians and show how low-dimensional correlations can control magnetic anisotropy.

cond-mat.str-el↗

arXiv2026

Superconductivity induced by altermagnetic spin fluctuations in high-pressure MnB$_4$

Recent experiments found superconductivity in nonmagnetic MnB$_4$ with a high critical temperature ($T_{c}$) reaching 14 K at 158 GPa. However, ab initio calculations of the electron-phonon coupling predict a $T_{c}$ below 1 K, suggesting that a conventional mechanism cannot explain this phenomenon. In this Letter, we find that MnB$_4$ is close to an altermagnetic instability in density-functional theory calculations. We propose that the superconductivity is driven by altermagnetic spin fluctuations. To verify the pairing symmetry, we have constructed a two-orbital tight-binding model, where boron states at the Fermi level are integrated out. Using this model, we identify an extended-$s$ symmetry as the leading pairing instability. If confirmed, this will be the first reported case of superconductivity driven by altermagnetic spin fluctuations.

cond-mat.supr-con↗

arXiv2026

Strain continuously rotates the Néel vector in altermagnetic MnTe

Altermagnetism has recently emerged as a distinct class of collinear antiferromagnets that break time-reversal symmetry, exhibiting a host of novel properties. Applied strain has attracted particular attention as a key tuning parameter for altermagnets. Although several experimental studies have demonstrated the preparation of single-domain states through a combination of applied strain and magnetic field, the route to such states remains unclear. Here, we use magneto-optical measurements on single crystals of MnTe under applied strain to show that, in contrast to previous reports, strain acts primarily to rotate the Néel vector L continuously. Since the orientation of L determines the magnetic point group symmetry, this continuous rotation effectively tunes the symmetry and its associated physical properties. Furthermore, we demonstrate that built-in strain in free-standing crystals is sufficient to pin L into continuous textures over millimeter length scales. Together, these results provide guidance for future device design and open the door to leveraging the Néel vector orientation as a tunable degree of freedom in spintronic applications.

cond-mat.mtrl-sci↗

arXiv2026

Assessing the suitability of the Thomas-Fermi-von Weizsäcker density functional for itinerant magnetism

We assess the ability of the Thomas--Fermi--von Weizsacker (TFW) functional within orbital-free density functional theory (DFT) to describe itinerant magnetism. Magnetic stability is evaluated through the susceptibility obtained from the second derivative of the total energy with respect to the net magnetization. Calculations are performed for the paramagnetic metals Al and Pd and the canonical ferromagnets Fe, Co, and Ni, with the results benchmarked against Kohn--Sham DFT. The orbital-free results show poor agreement with the Kohn--Sham predictions, failing to capture even the qualitative trends. Using the orbital-free ground-state density with the Kohn--Sham functional in a non-self-consistent calculation yields reasonable qualitative agreement, although the quantitative agreement remains limited. These results highlight fundamental limitations of the TFW functional for describing itinerant magnetism.

cond-mat.mtrl-sci↗

arXiv2026

Modeling of a twisted-Kagome HoAgGe spin ice using Reduced-Configuration-Space Search and Density Functional Theory

The Kagome lattice is a 2D network of corner sharing triangles found in several rare earth materials resulting in a complicated and often frustrated magnetic system. In the last decades, modifications of the motif, such as breathing Kagome, asymmetric Kagome, and twisted Kagome were brought into the limelight. In particular, the latter has lower symmetry than the original Kagome and thus allows implementations of an "Ising-local" Hamiltonian, leading to a 2D spin ice. One such material implementation, HoAgGe, was recently reported to have an exceptionally rich phase diagram and is a strongly frustrated 2D spin-ice material with a twisted-Kagome geometry. In the presence of an external magnetic field the compound exhibits step-like magnetization plateaus at simple fractions of the saturation magnetization. It is believed that this phenomenon results from strong single-site anisotropy, which in HoAgGe was found to be in-plane and along a high-symmetry direction. Previous Monte Carlo simulations with empirical exchange parameters explain some, but not all experimental observations. In this work we present (a) first-principle calculations of the crucial model parameters and (b) direct energy minimization via a Reduced-Configuration-Space search, as well as Monte-Carlo simulations of the field-dependent phase diagram. We find that for HoAgGe the calculated exchange parameters are very different from the earlier suggested empirical ones, and describe the phase diagram much more accurately. This is likely because the first-principles parameters are, in addition to geometrically, also parametrically frustrated.

cond-mat.str-el↗

arXiv2026

Is altermagnetism in vanadium oxychalcogenides a lost cause?

Vanadium-based oxychalcogenide compounds with the inverse Lieb-lattice (ILL) structural pattern have recently been proposed as candidate altermagnets (AM). However, early studies postulated ferromagnetic interlayer coupling, a critical requirement for preserving the bulk AM state. Here we present a systematic survey of the complete AV2Q2O family (A = K, Rb, Cs; Q = S, Se, Te) in terms of their magnetic ordering and interlayer coupling. While intralayer exchange interaction favors AM ordering in a single ILL layer across the entire family, the relatively weak interlayer coupling in most cases favors Kramers-degenerate antiferromagnetic order with a doubled magnetic unit cell. This means that most stoichiometric bulk materials, including the previously proposed candidate KV2Se2O, are not altermagnetic, with CsV2Te2O being the only exception. Using hole doping to simulate alkali vacancies, we show that realistic deviations from stoichiometry do not change the magnetic ground state in these compounds.

cond-mat.str-el↗

arXiv2026

Mystery of the 175 cm$^{-1}$ Raman Mode in MnTe Altermagnet

MnTe has recently attracted exceptional attention due to its well-established altermagnetism, prompting a thorough reexamination of its properties. In particular, it was found that a Raman-active excitation at ~175 cm$^{-1}$, routinely assigned to the E2g phonon, is incompatible with this interpretation. It was further hypothesized that this mode is a "leakage", due to symmetry lowering, of an otherwise forbidden phonon. Here, using first-principles calculations, we decisively rule out this hypothesis and propose an alternative interpretation that the "mystery mode" is an electronic excitation, i.e., a plasmon, enabled by hole self-doping. The resolution of this mystery will require additional experiments and shed new light on the nature of electronic transport in MnTe.

cond-mat.mtrl-sci↗

arXiv2026

Anisotropy, frustration and saddle point in the twisted Kagome antiferromagnet ErPdPb

The kagome lattice, with its inherent geometric frustration, provides a rich platform for exploring intriguing magnetic phenomena and topological electronic structures. In reduced-symmetry structures, such as twisted kagome systems involving rare earth elements, additional anisotropy can arise, enabling intriguing properties including spin-ice states, magnetocaloric effects, noncollinear magnetic ordering, and anomalous Hall effect. Here, we report the synthesis of single crystals of ErPdPb, which features a twisted kagome lattice net of Er atoms within the hexagonal ZrNiAl-type structure, and we investigate its magnetic, electronic, and thermal properties. The material exhibits antiferromagnetic ordering below 2.2 K, consistently observed in magnetic, transport, and heat capacity measurements. Magnetization measurements reveal 1/3 metamagnetic steps along the c-axis below the Néel temperature, suggesting an Ising-spin-like state on the twisted kagome lattice. A pronounced anisotropy between in-plane and out-of-plane resistivity is observed throughout the temperature range of 1.8-300 K, and the compound exhibits a significant frustration index of 13.6 (12.7) along the c-axis (ab-plane). Heat capacity measurements show a broad hump at 2.2 K, with an additional increase below 0.5 K. The anisotropic magnetic properties are further explored through density functional theory (DFT) calculations, which suggest strong easy-axis anisotropy, consistent with experimental magnetic measurements and crystal-field model expectations, and quasi-one-dimensional bands and a spin-split saddle point at the zone center.

cond-mat.str-el↗

arXiv2025

Crystal Growth and Physical Properties of Orthorhombic Kagome Lattice Magnets $R$Fe$_6$Ge$_6$ ($R$=Y, Tb, Dy)

Kagome magnets represent a promising class of materials that exhibit intriguing electronic and magnetic properties, and they have recently garnered significant attention. While most kagome-lattice compounds are hexagonal, we report here single-crystal growth and physical property measurements of $R$Fe$_6$Ge$_6$ ($R$ = Y, Dy, Tb) compounds, which crystallize in an orthorhombic structure. The structure can be derived from a hexagonal prototype $R$Fe$_3$Ge$_2$ by replacing every other $R$ atom with a covalent Ge$_2$ dimer. Ordering of these dimers renders the structure orthorhombic, slightly distorts the kagome net, and makes the three Fe sites formally inequivalent. The iron and rare-earth sublattices order independently. Fe moments order above 400 K, forming ferromagnetic kagome planes stacked antiferromagnetically, while rare-earth moments order below 9 K. TbFe$_6$Ge$_6$ exhibits a single magnetic ordering transition associated with the Tb atoms, whereas DyFe$_6$Ge$_6$ shows two distinct magnetic phase transitions, strongly influenced by crystal electric field effects on the Dy$^{3+}$ ions. Density functional theory (DFT) calculations indicate that the ferromagnetic ordering of the Fe planes is driven by a high density of states at the Fermi energy. They also reveal three dramatically different structural energy scales: $R$ and Ge$_2$ form alternating 1D chains perpendicular to the kagome planes, and violating this alternation incurs a large energy cost. Aligning these chains is less costly, and achieving a two-dimensional order of anti-aligned chains requires very little energy. These compounds represent a unique class of materials, offering new opportunities to investigate the interplay between the distinct crystal lattice geometry and the underlying electronic and magnetic properties.

cond-mat.mtrl-sci↗

arXiv2025

Rigid muffin-tin approximation in plane-wave codes for fast modeling of phonon-mediated superconductors

We present a pseudopotential-based plane-wave implementation of the rigid muffin-tin approximation (RMTA), offering a computationally efficient alternative to its traditional use in all-electron codes. This approach enables the evaluation of angular-momentum-resolved electron-phonon matrix elements and McMillan-Hopfield parameters of not only elemental transition metals but also their compounds. The results are benchmarked against full-potential linearized augmented plane wave calculations, showing excellent agreement. We further outline a practical route to extract atom- and symmetry-type-resolved electron-phonon coupling constants. By enabling the use of RMTA descriptors within high-throughput workflows, this framework significantly lowers the computational cost of screening candidate superconductors, providing a valuable tool for materials discovery.

cond-mat.supr-con↗

arXiv2025

Observation of Altermagnetic Spin Splitting in an Intercalated Transition Metal Dichalcogenide

Altermagnetism is a novel magnetic phase combining characteristics of both antiferromagnetism and ferromagnetic ordering. Despite growing theoretical interest in altermagnetic materials, reports of experimentally verified high Neel temperature layered compounds are limited or remain to be firmly established. Here, we present an angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) study of Co1/4TaSe2, a compound we identify as a layered altermagnetic material. Magnetic susceptibility measurements confirm type A antiferromagnetic ordering with a Neel temperature of 178 K. Our ARPES measurements reveal an electronic band structure in excellent agreement with DFT calculations, demonstrating clear signatures of altermagnetic spin splitting at the Fermi surface. Furthermore, temperature dependent ARPES reveals a reconstructed valence band structure, with observable band shifts and the closing of energy gaps upon heating above the Neel temperature (TN), consistent with the suppression of altermagnetic order. These findings establish Co1/4TaSe2 as a promising platform for exploring altermagnetic phenomena.

cond-mat.mes-hall↗

arXiv2025

Inverse Lieb Materials: Altermagnetism and More

The Lieb lattice, originally proposed for cuprate superconductors, has gained new attention in the emerging field of altermagnetism as a minimal analytical model for the latter. While initially the so-called inverse Lieb lattice (ILL) was deemed only a theoretical model, recently several real materials with this crystallographic motif have been found. The unique geometry of ILL can accommodate complex magnetic orderings arising from competing exchange interactions and geometric frustration, offering great tunability for magnetic properties. In this work, we provide comprehensive insights into magnetic phases in ILL materials and establish guidelines for efficient identification of altermagnetic materials within this family. We begin by constructing phase diagrams using a simple Heisenberg model to elucidate the fundamental mechanisms underlying altermagnetism and other complex magnetic phases observed experimentally. To bridge theory with experiment, we systematically investigate a series of existing ILL compounds using density functional theory (DFT) calculations to determine their magnetic ground states. Our computational results are in good agreement with experimental observations. Importantly, we identify a trend linking magnetic ordering to the $d$-shell filling of transition metal ions, with $d^{2-3}$ and $d^{5}$ configurations showing propensity for altermagnetic behavior. Additionally, we identify a promising metallic compound Sr$_{2}$CrO$_{2}$Cr$_{2}$OAs$_{2}$ as an altermagnet that is highly anisotropic in its $J_2$ exchange couplings with large Néel temperature ($\sim 600$ K). Using exchange coupling parameters extracted from DFT calculations, we compute the magnon spectra for altermagnetic systems. As expected, chiral splittings in the magnon dispersion are directly correlated with anisotropy between crystallographically inequivalent $J_{2}$ exchange interactions.

cond-mat.mtrl-sci↗

arXiv2025

Constraints on magnetism and correlations in RuO$_2$ from lattice dynamics and Mössbauer spectroscopy

We provide experimental evidence for the absence of a magnetic moment in bulk RuO$_2$, a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering we determine the $^{99}$Ru magnetic hyperfine splitting to be negligible. Inelastic X-ray and neutron scattering derived lattice dynamics of RuO$_2$ are compared to density functional theory calculations of varying flavors. Comparisons among theory with experiments indicate that electronic correlations, rather than magnetic order, are key in describing the lattice dynamics.

cond-mat.mtrl-sci↗

arXiv2025

Doping-induced Spin Reorientation in Kagome Magnet TmMn6Sn6

The kagome-lattice compounds RMn6Sn6 (R is a rare earth element), where the Mn atoms form a kagome net in the basal plane, are currently attracting a great deal of attention as they have been shown to host complex magnetic textures and electronic topological states strongly sensitive to the choice of the R atom. Among the magnetic R atoms, TmMn6Sn6 orders with the easy-plane magnetization forming a complex magnetic spiral along the c-axis. Previous neutron studies, carried on polycrystalline, samples found that Ga doping changes the magnetic anisotropy from easy-plane to easy-axis. Here we present magnetic and magnetotransport measurements on a single crystal and first principles calculations in the doping series of TmMn6Sn6-xGax. We find that the magnetic properties are highly sensitive even to a small concentration of Ga. With minimal Ga substitution, the easy-plane anisotropy is maintained, which gradually changes to the easy-axis anisotropy with increasing Ga. We discuss these observations with respect to the effect of Ga doping on magnetocrystalline anisotropy and Tm crystal field

cond-mat.mtrl-sci↗

arXiv2025

Fluctuation-driven topological Hall effect in room-temperature itinerant helimagnet Fe3Ga4

The topological Hall effect (THE) is a hallmark of a non-trivial geometric spin arrangement in a magnetic metal, originating from a finite scalar spin chirality (SSC). The associated Berry phase is often a consequence of non-coplanar magnetic structures identified by multiple k-vectors. For single-k magnetic structures however with zero SSC, the emergence of a finite topological Hall signal presents a conceptual challenge. Here, we report that a fluctuation-driven mechanism involving chiral magnons is responsible for the observed THE in a low-symmetry compound, monoclinic Fe3Ga4. Through neutron scattering experiments, we discovered several nontrivial magnetic phases in this system. In our focus is the helical spiral phase at room temperature, which transforms into a transverse conical state in applied magnetic field, supporting a significant THE signal up to and above room temperature. Our work offers a fresh perspective in the search for novel materials with intertwined topological magnetic and transport properties.

cond-mat.str-el↗