arXiv subjects

Rafael González-Hernández

Publications and source records attributed to Rafael González-Hernández.

At least 19 recordsLinked to original sources

arXiv2026

Emergent $d$-wave altermagnetism in orthogonally twisted bilayer CrPS$_4$

Twistronics is a powerful strategy to engineer novel quantum states by controlling the relative orientation between layered materials. Here, we demonstrate that an orthogonally twisted bilayer CrPS$_4$ shows $d$-wave altermagnetism driven purely by structural rotation. Symmetry analysis reveals that the twisted stacking breaks partial translational combined with time-reversal symmetry, leading to a fourfold rotation relation between opposite spin sublattices, enabling altermagnetism. First-principles calculations demonstrate a sizable non-relativistic spin splitting of up to 68 meV around the Fermi level. We further show that the altermagnetic state can be further stabilized through interlayer compression and modulation of the on-site Coulomb interaction. The resulting band structure exhibits pronounced spin-dependent anisotropy, enabling efficient spin to charge conversion reaching $\sim$50% near the Fermi level and sizable giant magnetoresistance. These results establish twisted CrPS$_4$ as a realistic platform for altermagnetism and highlights twistronics as a versatile route for advanced spintronics applications.

cond-mat.mtrl-sci↗

arXiv2026

Twist-induced altermagnetism in a metallic van der Waals antiferromagnet

Altermagnetism -a magnetic state characterized by spin-polarized electronic bands at zero net magnetization- offers a promising route for next-generation spintronic devices. In two-dimensional (2D) magnets, twist engineering enables its realization by breaking the combined inversion and time-reversal symmetry (PT) while preserving crystal symmetries that ensure the altermagnetic order. Here, by means of first-principles calculations and symmetry analysis, we demonstrate that twist engineering applied to the recently synthesized metallic van der Waals antiferromagnet Co-doped bilayer Fe$_3$GaTe$_2$ (Fe$_2$CoGaTe$_2$) provides a robust platform for altermagnetism. By twisting two layers of Fe$_2$CoGaTe$_2$, the PT symmetry between opposite spin sublattices is broken, resulting in a non-relativistic $i$-wave altermagnetic state with spin splitting up to 138 meV. In the absence of spin-orbit coupling (SOC), the electronic states are spin-degenerate along six high-symmetry directions, while the inclusion of SOC preserves this degeneracy along the three directions protected by twofold rotation axes. Furthermore, we unveil the microscopic mechanisms governing the magnetic behavior in twisted Fe$_2$CoGaTe$_2$. Our results establish twist engineering and metallic Fe-based van der Waals antiferromagnets as versatile platforms to realize 2D van der Waals altermagnetism, with potential for designing high-efficiency ultrathin nanodevices.

cond-mat.mtrl-sci↗

arXiv2025

Chiral symmetry and magnetism in a 3D Kagome lattice: RPt$_2$B (R = La and Nd) prototype crystals

Chirality in crystals arises from the exclusive presence of proper symmetry operations, such as rotations and screw axes, while lacking improper operations like inversion, mirror planes, and roto-inversions. Crystallographic chirality is expected to be coupled with magnetic responses in magnetically active chiral compounds. Therefore, this study investigates the interplay between structural chirality and magnetic ordering in the rare-earth platinum boride family, RPt$_2$B, where R denotes lanthanide elements. Our results show that the R sites structurally form a chiral three-dimensional Kagome lattice, which can lead to magnetic frustration resolved through chiral antiferromagnetic orderings in conjunction with chiral symmetry. Symmetry analysis reveals that these chiral antiferromagnetic states are low-energy states, competing with higher-in-energy (001) ferromagnetic configuration. We also identified Kramers-type Weyl points in the electronic structure without magnetic response. In the magnetically active chiral compound NdPt$_2$B, Zeeman splitting lifts degeneracies at the high-symmetry points; however, Weyl points persist due to the breaking of time-reversal (T) and inversion (P) symmetries. We also estimate the anomalous Hall conductivity, a measurable observable of the allowed topological features finding a value of $σ_{xy} = 293$ S$\cdot$cm$^{-1}$ comparable with another Kagome magnetic materials like Mn$_3$PtN and FeSn, for example. This study elucidates the intricate interplay among chirality, magnetism, and topology in rare-earth Kagome materials.

cond-mat.str-el↗

arXiv2025

Eightfold Degenerate Dirac Nodal Line in Collinear Antiferromagnet Mn$_5$Si$_3$

We study the electronic, magnetic, and spin transport properties of the orthorhombic Mn$_{5}$Si$_{3}$ compound in the $AF2$ phase using symmetry analysis and ab-initio calculations. Our ground state energy calculations align with experimental observations, demonstrating that the collinear antiferromagnetic (AFM) order, with Néel vector in the [010] direction, is the most stable magnetic configuration both with and without spin-orbit coupling (SOC) in a bulk lattice geometry. We identified an unconventional eight-fold degenerate Dirac nodal line (DNL) close to the Fermi level, characterized by negligible SOC. This DNL is robustly protected by a unique combination of a pure-spin symmetry and a lattice symmetry together with magnetic space group symmetries. Upon introducing SOC, this degeneracy is reduced to two four-fold DNLs, being protected by the combination of time-reversal, partial translation and nonsymmorphic symmetries within the magnetic space group. We predict also a large intrinsic spin Hall conductivity (SHC) which correlates with the presence of SOC-induced splitting of these eight-fold degenerate DNLs near the Fermi level. These intriguing characteristics position collinear antiferromagnet Mn$_{5}$Si$_{3}$ as a compelling candidate for spintronic applications, particularly in the generation and detection of spin currents, while remaining compatible with modern silicon technology.

cond-mat.mtrl-sci↗

arXiv2025

Spin and pair density waves in 2D altermagnetic metals

Altermagnetism, a recently proposed and experimentally confirmed class of magnetic order, features collinear compensated magnetism with unconventional d-, g-, or i-wave spin order. Here, we show that in a metallic 2D d-wave altermagnet with combined two-fold spin and four-fold lattice rotational symmetry $[C_2||C_4]$, secondary instabilities can arise. Using an unbiased functional renormalization group approach, we analyze the weak-coupling instabilities of a 2D Hubbard model with a preexisting altermagnetic order inspired by our ab initio electronic structure calculations of realistic material candidates from V$_2$X$_2$O (X = Te, Se) family. We identify two distinct spin density wave (SDW) states that break the underlying altermagnetic $[C_2||C_4]$ symmetry. Additionally, we find spin-fluctuation-induced instabilities leading to a singlet d-wave superconducting state and an unconventional commensurate pair density wave (PDW) state with extended s-wave and spin-triplet symmetry. We establish a general criterion for the unusual exchange statistics for these pair density waves and characterize their excitation spectrum, which exhibits Bogoliubov Fermi surfaces or nodal points depending on the gap size.

cond-mat.str-el↗

arXiv2024

Spin-orbit coupling effects in single-layer phosphorene

The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that describes the dominant spin-orbit coupling (SOC) effects of the Rashba and intrinsic origin at the high Γ and S high symmetry points in phosphorene. In the absence of SOC effects a minimal admixture of pz and py atomic orbitals suffices to reproduce the well known anisotropy of highest valence and the lowest conduction bands at the Γ-point, consistent with density functional theory (DFT) and k.p methods. In contrast, the inclusion of the px and s atomic orbitals are rather crucial for an adequate description of the SOC effects in phosphorene at low energies, particularly at the S-point. We introduce useful analytical expressions for the Rashba and intrinsic SOC parameters in terms of the relevant Slater-Koster integrals. In addition, we report simple formulas for the interband dipole-strenghts, revealing the nature of the strong anisotropic behavior of its lower bands. Our findings can be useful for further studies of electronic and spin transport properties in monolayer phosphorene and its nanoribbons.

cond-mat.mes-hall↗

arXiv2024

Observation of the anomalous Nernst effect in altermagnetic candidate Mn5Si3

The anomalous Nernst effect generates transverse voltage to the applied thermal gradient in magnetically ordered systems. The effect was previously considered excluded in compensated magnetic materials with collinear ordering. However, in the recently identified class of compensated magnetic materials, dubbed altermagnets, time-reversal symmetry breaking in the electronic band structure makes the presence of the anomalous Nernst effect possible despite the collinear spin arrangement. In this work, we investigate epitaxial Mn5Si3 thin films known to be an altermagnetic candidate. We show that the material manifests a sizable anomalous Nernst coefficient despite the small net magnetization of the films. The measured magnitudes of the anomalous Nernst coefficient reach a scale of microVolts per Kelvin. We support our magneto-thermoelectric measurements by density-functional theory calculations of the material's spin-split electronic structure, which allows for the finite Berry curvature in the reciprocal space. Furthermore, we present our calculations of the intrinsic Berry-curvature Nernst conductivity, which agree with our experimental observations.

cond-mat.mtrl-sci↗

arXiv2023

Non-relativistic torque and Edelstein effect in noncollinear magnets

The Edelstein effect is the origin of the spin-orbit torque: a current-induced torque that is used for the electrical control of ferromagnetic and antiferromagnetic materials. This effect originates from the relativistic spin-orbit coupling, which necessitates utilizing materials with heavy elements. Here we show that in magnetic materials with non-collinear magnetic order, the Edelstein effect and consequently also a current-induced torque can exist even in the absence of the spin-orbit coupling. Using group symmetry analysis, model calculations, and realistic simulations on selected compounds, we identify large classes of non-collinear magnet candidates and demonstrate that the current-driven torque is of similar magnitude as the celebrated spin-orbit torque in conventional transition metal structures. We also show that this torque can exist in an insulating material, which could allow for highly efficient electrical control of magnetic order.

cond-mat.mtrl-sci↗

arXiv2023

Induced Monolayer Altermagnetism in MnP(S,Se)$_3$ and FeSe

Altermagnets (AM) are a recently discovered third class of collinear magnets, distinctly different from conventional ferromagnets (FM) and antiferromagnets (AF). AM have been actively researched in the last few years, but two aspects so far remain unaddressed: (1) Are there realistic 2D single-layer altermagnets? And (2) is it possible to functionalize a conventional AF into AM by external stimuli? In this paper we address both issues by demonstrating how a well-known 2D AF, MnP(S,Se)$_3$ can be functionalized into strong AM by applying out-of-plane electric field. Of particular interest is that the induced altermagnetism is of a higher even-parity wave symmetry than expected in 3D AM with similar crystal symmetries. We confirm our finding by first-principles calculations of the electronic structure and magnetooptical response. We also propose that recent observations of the time-reversal symmetry breaking in the famous Fe-based superconducting chalchogenides, either in monolayer form or in the surface layer, may be related not to an FM, as previously assumed, but to the induced 2D AM order. Finally, we show that monolayer FeSe can simultaneously exhibit unconventional altermagnetic time-reversal symmetry breaking and quantized spin Hall conductivity indicating possibility to research an intriquing interplay of 2D altermagnetism with topological and superconducting states within a common crystal-potential environment.

cond-mat.mes-hall↗

arXiv2023

Observation of the anomalous Hall effect in a layered polar semiconductor

Progress in magnetoelectric materials is hindered by apparently contradictory requirements for time-reversal symmetry broken and polar ferroelectric electronic structure in common ferromagnets and antiferromagnets. Alternative routes could be provided by recent discoveries of a time-reversal symmetry breaking anomalous Hall effect in noncollinear magnets and altermagnets, but hitherto reported bulk materials are not polar. Here, we report the observation of a spontaneous anomalous Hall effect in doped AgCrSe$_2$, a layered polar semiconductor with an antiferromagnetic coupling between Cr spins in adjacent layers. The anomalous Hall resistivity 3 $μΩ$ cm is comparable to the largest observed in compensated magnetic systems to date, and is rapidly switched off when the angle of an applied magnetic field is rotated to $\sim 80^{\circ}$ from the crystalline $c$-axis. Our ionic gating experiments show that the anomalous Hall conductivity magnitude can be enhanced by modulating the $p$-type carrier density. We also present theoretical results that suggest the anomalous Hall effect is driven by Berry curvature due to noncollinear antiferromagnetic correlations among Cr spins, which are consistent with the previously suggested magnetic ordering in AgCrSe$_2$. Our results open the possibility to study the interplay of magnetic and ferroelectric-like responses in this fascinating class of materials.

cond-mat.mtrl-sci↗

arXiv2022

Anomalous Hall conductivity control in Mn$_3$NiN antiperovskite by epitaxial strain along the kagome plane

Antiferromagnetic manganese-based nitride antiperovskites, such as Mn$_3$NiN, hold a triangular frustrated magnetic ordering over their kagome lattice formed by the Mn atoms along the (111)-plane. As such, frustration imposes a non-trivial interplay between the symmetric and asymmetric magnetic interactions, which can only reach equilibrium in a noncollinear magnetic configuration. Consequently, the associated electronic interactions and their possible tuning by external constraints, such as applied epitaxial strain, play a crucial role in defining the microscopic and macroscopic properties of such topological condensed matter systems. Thus, in the present work, we explored and explained the effect of the epitaxial strain imposed within the (111)-plane, in which the magnetic and crystallographic symmetry operations are kept fixed, and only the magnitude of the ionic and electronic interactions are tuned. We found a linear shifting in the energy of the band structure and a linear increase/decrease of the available states near the Fermi level with the applied strain. Concretely, the compression strain reduces the Mn-Mn distances in the (111) kagome plane but linearly increases the separation between the stacked kagome lattices and the available states near the Fermi level. Despite the linear controlling of the available states across the Fermi energy, the anomalous Hall conductivity shows a non-linear behavior where the $σ_{111}$ conductivity nearly vanishes for tensile strain. On the other hand, $σ_{111}$ fetches a maximum increase of 26\% about the unstrained structure for a compression value close to $-$1.5\%.This behavior found an explanation in the non-divergent Berry curvature within the kagome plane, which is increased for constraining but significantly reduced for expansion strain values...

cond-mat.str-el↗

arXiv2021

Quasi-nodal lines in rhombohedral magnetic materials

A well-established result in condensed matter physics states that materials crystallizing in symmetry groups containing glide reflection symmetries possess nodal lines on the energy bands. These nodal lines are topologically protected and appear on the fixed planes of the reflection in reciprocal space. In the presence of inversion symmetry, the energy bands are degenerate and the nodal lines on the fixed plane may hybridize or may cross. In the former case, the crossing is avoided, thus producing lines on reciprocal space where the energy gap is small, and in the latter, the nodal lines will endure, thus producing Dirac or double nodal lines. In addition, if the material crystallizes in a ferromagnetic phase where the glide reflection symmetry is broken, the nodal lines hybridize, thus defining lines in reciprocal space where the energy gap is small. In this work we concentrate our efforts on the study of nodal lines that hybridize due to magnetization; we have coined the term of quasi-nodal lines for those lines in reciprocal space where the energy gap is small (less than what can be detected experimentally). We study magnetic trifluorides and trioxides which crystallize in magnetic space groups 167.107 and 161.71 and we show the existence of quasi-nodal lines on these materials. We furthermore show that whenever the quasi-nodal lines are located around the Fermi level then interesting charge and spin transport effects are induced and can be used to detect experimentally these lines. Of particular interest are the half-metallic ferromagnetic phases of PdF3 and LiCuF3 where the large signal of the anomalous Hall conductance is due to the presence of the quasi-nodal lines on the Fermi level.

cond-mat.mtrl-sci↗

arXiv2021

Chiralities of nodal points along high symmetry lines with screw rotation symmetry

Screw rotations in nonsymmorphic space group symmetries induce the presence of hourglass and accordion shape band structures along screw invariant lines whenever spin-orbit coupling is nonnegligible. These structures induce topological enforced Weyl points on the band intersections. In this work we show that the chirality of each Weyl point is related to the representations of the cyclic group on the bands that form the intersection. To achieve this, we calculate the Picard group of isomorphism classes of complex line bundles over the 2-dimensional sphere with cyclic group action, and we show how the chirality (Chern number) relates to the eigenvalues of the rotation action on the rotation invariant points. Then we write an explicit Hamiltonian endowed with a cyclic action whose eigenfunctions restricted to a sphere realize the equivariant line bundles described before. As a consequence of this relation, we determine the chiralities of the nodal points appearing on the hourglass and accordion shape structures on screw invariant lines of the nonsymmorphic materials PI3 (SG: P63), Pd3N (SG: P6322), AgF3 (SG: P6122) and AuF3 (SG: P6122), and we corroborate these results with the Berry curvature and symmetry eigenvalues calculations for the electronic wavefunction.

cond-mat.mtrl-sci↗

arXiv2021

Prediction of unconventional magnetism in doped FeSb2

It is commonly believed that in typical collinear antiferromagnets, with no net magnetization, the energy bands are spin-(Kramers-degenerate. The opposite case is usually associated with a global time-reversal symmetry breaking (e.g., via ferro(i)magnetism), or with the spin-orbit interaction is combined with the broken spatial inversion symmetry. Recently, another type of spin splitting was demonstrated to emerge in some fully compensated by symmetry, nonrelativistic, collinear magnets, and not even necessarily non-centrosymmetric. These materials feature non-zero spin density staggered not only in real, but also in momentum space. This duality results in a combination of characteristics typical of ferro- and antiferromagnets. Here we discuss this novel concept in application to a well-known semiconductor, FeSb2, and predict that upon certain alloying it becomes magnetic, and features such magnetic duality. The calculated energy bands split antisymmetrically with respect to spin degenerate nodal surfaces (and not nodal points, as in the case of spin-orbit splitting. This combination of a large (0.2 eV) spin splitting, compensated net magnetization and metallic ground-state, and a particular magnetic easy axis generate a large anomalous Hall conductivity (~150 S/cm) and a sizable magneto-optical Kerr effect, all deemed to be hallmarks of nonzero net magnetization. We identify a large contribution to the anomalous response originating from the spin-orbit interaction gapped anti-Kramers nodal surfaces, a mechanism distinct from the nodal lines and Weyl {\it points} in ferromagnets.

cond-mat.mtrl-sci↗

arXiv2021

Giant and tunneling magnetoresistance effects from anisotropic and valley-dependent spin-momentum interactions in antiferromagnets

Giant or tunneling magnetoresistance are physical phenomena used for reading information in commercial spintronic devices. The effects rely on a conserved spin current passing between a reference and a sensing ferromagnetic electrode in a multilayer structure. Recently, we have proposed that these fundamental spintronic effects can be realized in collinear antiferromagnets with staggered spin-momentum exchange interaction, which generates conserved spin currents in the absence of a net equilibrium magnetization. Here we elaborate on the proposal by presenting archetype model mechanisms for the antiferromagnetic giant and tunneling magnetoresistance effects. The models are based, respectively, on anisotropic and valley-dependent forms of the non-relativistic staggered spin-momentum interaction. Using first principles calculations we link these model mechanisms to real antiferromagnetic materials and predict a $\sim$100\% scale for the effects. We point out that besides the GMR/TMR detection, our models directly imply the possibility of spin-transfer-torques excitation of the antiferromagnets.

cond-mat.mes-hall↗

arXiv2021

Macroscopic time reversal symmetry breaking by staggered spin-momentum interaction

Time-reversal (T) symmetry breaking is a fundamental physics concept underpinning a broad science and technology area, including topological magnets, axion physics, dissipationless Hall currents, or spintronic memories. A best known conventional model of macroscopic T-symmetry breaking is a ferromagnetic order of itinerant Bloch electrons with an isotropic spin interaction in momentum space. Anisotropic electron interactions, on the other hand, have been a domain of correlated quantum phases, such as the T-invariant nematics or unconventional superconductors. Here we report discovery of a broken-T phase of itinerant Bloch electrons with an unconventional anisotropic spin-momentum interaction, whose staggered nature leads to the formation of two ferromagnetic-like valleys in the momentum space with opposite spin splittings. We describe qualitatively the effect by deriving a non-relativistic single-particle Hamiltonian model. Next, we identify the unconventional staggered spin-momentum interaction by first-principles electronic structure calculations in a four-sublattice antiferromagnet Mn5Si3 with a collinear checkerboard magnetic order. We show that the staggered spin-momentum interaction is set by nonrelativistic spin-symmetries which were previously omitted in relativistic physics classifications of spin interactions and topological quasiparticles. Our measurements of a spontaneous Hall effect in epilayers of antiferromagnetic Mn5Si3 with vanishing magnetization are consistent with our theory predictions. Bloch electrons with the unconventional staggered spin interaction, compatible with abundant low atomic-number materials, strong spin-coherence, and collinear antiferromagnetic order open unparalleled possibilities for realizing T-symmetry broken spin and topological quantum phases.

cond-mat.mes-hall↗

arXiv2021

Topological electronic structure and Weyl points in nonsymmorphic hexagonal materials

Using topological band theory analysis we show that the nonsymmorphic symmetry operations in hexagonal lattices enforce Weyl points at the screw-invariant high-symmetry lines of the band structure. The corepresentation theory and connectivity group theory show that Weyl points are generated by band crossings in accordion-like and hourglass-like dispersion relations. These Weyl points are stable against weak perturbations and are protected by the screw rotation symmetry. Based on first-principles calculations we found a complete agreement between the topological predicted energy dispersion relations and real hexagonal materials. Topological charge (chirality) and Berry curvature calculations show the simultaneous formation of Weyl points and nodal-lines in 4d transition-metal trifluorides such as AgF3 and AuF3. Furthermore, a large intrinsic spin-Hall conductivity was found due to the combined strong spin-orbit coupling and multiple Weyl-point crossings in the electronic structure. These materials could be used to the spin/charge conversion in more energy-efficient spintronic devices.

cond-mat.mtrl-sci↗

arXiv2021

Observation of the Anomalous Hall Effect in a Collinear Antiferromagnet

Time-reversal symmetry breaking is the basic physics concept underpinning many magnetic topological phenomena such as the anomalous Hall effect (AHE) and its quantized variant. The AHE has been primarily accompanied by a ferromagnetic dipole moment, which hinders the topological quantum states and limits data density in memory devices, or by a delicate noncollinear magnetic order with strong spin decoherence, both limiting their applicability. A potential breakthrough is the recent theoretical prediction of the AHE arising from collinear antiferromagnetism in an anisotropic crystal environment. This new mechanism does not require magnetic dipolar or noncollinear fields. However, it has not been experimentally observed to date. Here we demonstrate this unconventional mechanism by measuring the AHE in an epilayer of a rutile collinear antiferromagnet RuO$_2$. The observed anomalous Hall conductivity is large, exceeding 300 S/cm, and is in agreement with the Berry phase topological transport contribution. Our results open a new unexplored chapter of time-reversal symmetry breaking phenomena in the abundant class of collinear antiferromagnetic materials.

cond-mat.mtrl-sci↗