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Daniel F. Agterberg

Publications and source records attributed to Daniel F. Agterberg.

At least 19 recordsLinked to original sources

Intrinsic longitudinal spin-conductivity from ferroaxial spin-symmetry breaking

The interplay of antiferromagnetic order, momentum-dependent Bloch spin-splitting, time-reversal (T), and parity (P) symmetries in non-relativistic systems has emerged as a central theme for spintronics. Two well-known examples are P-preserving and T-violating altermagnets and P-violating and T-preserving odd-parity magnets. Here we examine a class of coplanar AFMs with a translation invariant vector spin chiral (VSC) order that preserves both P and T symmetries but breaks the non-relativistic spin-rotational invariance. Naively, such a VSC order is not expected to exhibit unusual phenomena. Here we show that the spin-rotational symmetry breaking generated by this VSC order can take on multiple forms, including ferroaxial symmetry breaking. We further show that these states allow for non-relativistic and non-dissipative purely longitudinal (or purely transverse) spin-conductivities. These states also allow the generation of non-relativistic altermagnetic spin-splittings through circularly polarized light. We identify 16 candidate materials in the Magndata database for which our theory is applicable and provide effective microscopic models and DFT-based results that highlight the large emergent spin conductivities.

cond-mat.str-el

Multi-orbital physics in inverse Lieb lattice altermagnets

The inverse Lieb lattice has recently emerged as a promising platform for altermagnetism, with several materials with this structure proposed as $d$-wave altermagnetic candidates. Here, we develop a symmetry-based microscopic Hamiltonian for these materials that includes both sublattice and orbital degrees of freedom, going beyond the sublattice-only minimal models that have been extensively used to study such altermagnets. We apply these models to examine multi-orbital electron correlation physics in the vanadium oxychalcogenide family altermagnets, which contain dominant $xy$ and $xz/yz$ orbitals character at the Fermi level in the altermagnetic state. We demonstrate that $xy$ orbitals are crucial to stabilize the altermagnetic state observed within a single V$_2$O layer, and altermagnetic order in the $xz/yz$ orbitals is induced through Hund's coupling. Additionally, we show that these multi-orbital models reveal topological regimes in which topological edge states are naturally orbital selective.

cond-mat.str-el

Symmetry-required Orbital Selectivity in Monolayer FeSe

Orbital-selective correlations have been observed to play an important role in Fe-based superconductors. Here, in contrast to previous site-local Mott transition-based origins, we present a band-theory-based mechanism for orbital-selective physics in monolayer FeSe, for which only electron pockets appear. Underlying our mechanism is the observation in density functional theory (DFT) calculations that around the M point in the Brillouin zone, antiferromagnetic fluctuations are strongly coupled to electrons in $x^2-y^2$ orbitals but weakly coupled to those in $\{xz,yz\}$ orbitals. Symmetry-arguments reveal that this orbital selective coupling originates from the different intertwined orbital and Fe-site sublattice Bloch wavefunctions for these two sets of orbitals at the M point, specifically, the $x^2-y^2$ orbitals can be Fe-site localized. The strong coupling of electrons in $x^2-y^2$ orbitals to the magnetic fluctuations enables orbital-selective electronic renormalizations that can account for important features of our angle-resolved photoemission spectroscopy (ARPES) measurements. Our symmetry-required mechanism for orbital selective physics can be generalized to a range of crystal space groups with four-fold and six-fold screw axes.

cond-mat.str-el

Reentrant superconductivity enabled by spin-orbit coupling: Application to UTe$_2$

Reentrant superconductivity has been understood primarily in terms of the Jaccarino-Peter field-compensation effect or from a change of the strength in the pairing interaction. However, neither mechanism appears able to entirely explain the remarkable phase diagram of UTe$_2$. Here we propose a generic theory of the field-enhancement of opposite-spin Cooper pairings which does not necessitate the coexistence of magnetism or the vicinity of a magnetic quantum critical point. Our analytical treatment shows that the reentrance has its origin in the interplay of the sublattice degrees of freedom and spin-orbit coupling, which can can strikingly enhance opposite-spin Cooper pairings at strong Zeeman fields. Based on these results, we show that a pairing state with B$_{3u}$ symmetry can reproduce the highly anisotropic phase diagram of the reentrant superconducting state of UTe$_2$.

cond-mat.supr-con

Inherent momentum-dependent gap structure of altermagnetic superconductors

Altermagnetic metals break time-reversal symmetry and feature spin-split Fermi surfaces generated by compensated Néel-ordered collinear magnetic moments. Being metallic, such altermagnets may undergo a further instability at low temperatures to a superconducting state, and it is an interesting open question what the salient features are of such altermagnetic superconductors. We address this question on the basis of realistic microscopic models that capture the altermagnetic sublattice degrees of freedom. We find that the sublattice structure can strongly affect the superconducting gap structure in altermagnetic superconductors. In particular, it imposes nodes in the gap on the Brillouin zone edges for superconductors stabilized by momentum-independent bare attraction channels. We contrast this to the case of superconductivity generated by extended range interactions where pairing is allowed on the Brillouin zone edges and both spin-singlet and equal-spin-pairing triplet states can be stabilized. Equal-spin-pairing triplet superconductivity is generically favored in the limit of large altermagnetic spin splitting of the bands compared to the superconducting gap scale, and features characteristic nonunitary properties arising from the altermagnetic order.

cond-mat.supr-con

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

Odd-Parity Magnetism in Fe-Based Superconductors

Odd-parity magnetism constitutes an intriguing phase of matter which breaks inversion symmetry while preserving time-reversal symmetry. Here we demonstrate that the Fe-based superconductors exhibiting coplanar magnetic order realize an odd-parity magnetic state by combining low-energy modeling with density-functional theory. In the absence of spin-orbit coupling, the electronic spins are polarized along the $k_z$-direction and the splitting of the up and down states exhibits an $h$-wave form-factor. The magnitude of the splitting depends sensitively on specific parameters of the low-energy model, including specific out-of-plane hopping parameters and the Fermi energies of the hole- and electron-pockets. Interestingly, despite this state breaking inversion symmetry and exhibiting a finite out-of-plane Berry curvature and non-linear anomalous Hall effect, the Edelstein effect vanishes. Incorporating spin-orbit coupling tilts the momentum-space electronic spins into the ($k_x,k_y$)-plane and imparts finite in-plane components to the Edelstein response. Our findings highlight the Fe-based superconductors as platforms for exploring odd-parity magnetism both on its own and coexisting with unconventional superconductivity.

cond-mat.supr-con

Ferroaxial magnets: time-reversal-even mirror symmetry violation from spin order

We investigate ferroaxial magnets, a new class of spin-order-driven multiferroic magnets in which magnetic ordering induces mirror-symmetry breaking while preserving both time-reversal and spatial-inversion symmetries. These systems exhibit a ferromagnet-like axial anisotropy that allows optical control of the ferroaxial polarization, while their macroscopic time-reversal symmetry makes them attractive for antiferromagnetic spintronics. Using spin crystallographic group analysis, we identify the candidate materials and the nonrelativistic ferroaxial nature stemming from the strong exchange splitting of magnets. Furthermore, a symmetry-based identification shows magnetic materials that host ferroaxial order and metallic conductivity, realizing the ferroaxial metal state that undergoes a ferroaxial phase transition while remaining metallic. As a direct probe for the ferroaxial metal, we propose a third-order nonlinear Hall effect originating from the transverse coupling between the electric field and Berry curvature dipole mediated by the ferroaxial anisotropy. Our results establish ferroaxial magnets as a platform for nonrelativistic multiferroicity and spintronic applications.

cond-mat.mtrl-sci

Vanishing Phase Stiffness and Fluctuation-Dominated Superconductivity: Evidence for Inter-Band Pairing in UTe$_2$

Superconductivity in three dimensions is almost universally governed by Ginzburg-Landau mean field theory, with critical fluctuations typically confined to within a few percent of the transition temperature ($T_{\rm c}$). We report that the heavy-Fermion superconductor UTe$_2$ exhibits a fluctuation regime that extends over a temperature range as wide as $T_{\rm c}$ itself -- the largest observed for any three-dimensional superconductor. Through ultrasound measurements of the elastic moduli and sound attenuation, we find that UTe$_2$ transitions from a mean-field-like state at ambient pressure to a fluctuation dominated state at higher pressures. This regime is marked by elastic softening and an increase in sound attenuation that onsets well above $T_{\rm c}$, with the attenuation remaining anomalously high deep in the superconducting state. Our analysis shows that these features stem from an extremely low superfluid phase stiffness. This results in a kinetic inductance as high as that of granular aluminum, but achieved in the clean limit. We propose that this exotic state is driven by dominant inter-band pairing mediated by ferromagnetic fluctuations, leading to "local" cooper pairs with a coherence length of only a few lattice constants.

cond-mat.supr-con

Origin of sublattice particle-hole asymmetry in monolayer FeSe superconductors

In iron-based superconductors, the two Fe atoms in the unit cell are typically related by crystal symmetries; therefore, we expect no intra-unit cell variations in the superconducting gap. However, recent experiments have challenged this expectation, reporting intra-unit cell variations in the gap with an unusual particle-hole asymmetry. Here, we examine the origin of this asymmetry between the two Fe sublattices in monolayer FeSe grown on SrTiO$_3$. We reveal that, in addition to the substrate-induced broken inversion symmetry, substrate nematic symmetry breaking is key to observing this asymmetry. We further identify two possible mechanisms through which this can occur. The first is through an odd-parity gap function that coexists with an extended $s$-wave function. The second is via a nodeless $d$-wave gap function that develops in the presence of a symmetry-breaking substrate. We argue that the latter mechanism is more physical. To test our theory, we performed scanning tunneling spectroscopy measurements across the nematic domain walls, which exhibit a clear enhancement of the asymmetry between the two Fe sublattices. In addition, we reveal that the observed sublattice particle-hole asymmetry is associated with odd-frequency pairing correlations, providing an experimental realization of this unusual pairing correlation.

cond-mat.supr-con

Odd-parity Magnetism Driven by Antiferromagnetic Exchange

Realizing odd-parity, time-reversal-preserving, non-relativistic spin splitting is a central goal for spintronics applications. We propose a group-theory-based microscopic framework to induce odd-parity spin splitting from coplanar antiferromagnetic (AFM) states without spin-orbit coupling (SOC). We develop phenomenological models for 421 conventional period-doubling AFM systems in non-symmorphic space groups and construct minimal microscopic models for 119 of these. We find that these AFM states can attain three possible competing ground states. These ground states all break symmetries in addition to those broken by the usual AFM order. Specifically, they give rise to either odd-parity spin-splitting, nematic order, or scalar odd-parity order related to multiferroicity. Our microscopic theories reveal that the odd-parity spin-splitting energy scale is generically large and further reveal that the scalar odd-parity order gives a non-zero Berry curvature dipole without SOC. We identify 67 materials in the Magndata database for which our theory applies. We provide DFT calculations on FeSe that reveal an $h$-wave spin splitting consistent with our symmetry arguments and apply our microscopic model to determine the non-relativistic Edelstein response for CeNiAsO.

cond-mat.str-el

Local signatures of altermagnetism

Altermagnets constitute a class of collinear compensated Néel ordered magnets that break time-reversal symmetry and feature spin-split band structures. Based on versatile microscopic models able to capture the altermagnetic sublattice degrees of freedom, we study characteristic local signatures of altermagnetism near disorder sites. We give a complete list of two-dimensional models that exhibit altermagnetism classified by their corresponding layer groups. Specifically, we calculate the local density of states in the vicinity of pointlike nonmagnetic impurities and expose its spatial dependence for two minimal models showcasing $d$-wave and $g$-wave altermagnetism. The momentum structure of the nodes ($d$-wave, $g$-wave, etc.) is directly imprinted on the total local density of states, thus measurable by scanning tunneling conductance experiments. This signature is present both in the spin-resolved as well as the spin-summed local density of states. We find a weaker response in the nonmagnetic state from the anisotropic crystal environment and uncover the importance of the sublattice degree of freedom to model altermagnets. We also study coexistence phases of altermagnetism and superconductivity and provide predictions for the local impurity response of in-gap bound states. The response of impurity bound states strongly enhances the distinct altermagnetic signature.

cond-mat.str-el

Quasi-symmetry Constrained Spin Ferromagnetism in Altermagnets

Altermagnets break time-reversal symmetry and their spin-orbit coupling (SOC) allow for an anomalous Hall effect (AHE) that depends on the direction of the Néel ordering vector. The AHE and the ferromagnetic spin moment share the same symmetry and hence are usually proportional. However, density functional theory (DFT) calculations find that the AHE exists with negligible ferromagnetic spin moment for some compounds, whereas it reaches sizable values for other altermagnets. By examining realistic minimal models for altermagnetism in which the DFT phenomenology is captured, we uncover a general SOC-enabled quasi-symmetry, the uniaxial spin space-group, that provides a natural explanation for the amplitude of the ferromagnetic spin moment across the vast range of different altermagnetic materials. Additionally, we derive analytic expressions for the magnetic anisotropy energy, providing a simple means to identify the preferred Néel vector orientation for altermagnets.

cond-mat.str-el

AI-predicted PT-symmetric magnets

Parity-time-reversal-symmetric odd-parity antiferromagnetic (AFM1) materials are of interest for their symmetry-enabled quantum transport and optical effects. These materials host odd-parity terms in their band dispersion, leading to asymmetric energy bands and enabling responses such as the magnetopiezoelectric effect, nonreciprocal conductivity, and photocurrent generation. In addition, they may support a nonlinear spin Hall effect without spin-orbit coupling, offering an efficient route to spin current generation. We identify 23 candidate AFM1 materials by combining artificial intelligence, density functional theory (DFT), and symmetry analysis. Using a graph neural network model and incorporating AFM1-specific symmetry constraints, we screen Materials Project compounds for high-probability AFM1 candidates. DFT calculations show that AFM1 has the lowest energy among the tested magnetic configurations in 23 candidate materials. These include 3 experimentally verified AFM1 materials, 10 synthesized compounds with unknown magnetic structures, and 10 that are not yet synthesized.

cond-mat.mtrl-sci

Altermagnetism from coincident Van Hove singularities: application to $κ$-Cl

Realizing two-dimensional (2D) altermagnets is important for spintronics applications. Here we propose a microscopic template for stabilizing 2D altermagnetism through Van Hove singularities that are coincident in both energy and momentum. These coincident Van Hove singularities are a generic consequence of non-symmorphic symmetries in nine 2D space groups. Due to nontrivial symmetry properties of the Hamiltonian, these coincident Van Hove singularities allow new hopping interactions between the Van Hove singularities that do not appear in analogous Van Hove singularity based patch models for cuprates and graphene. We show these new interactions can give rise to various weak coupling, and BCS-based instabilities, including altermagnetism, nematicity, inter-band d-wave superconductivity, and orbital altermagnetic order. We apply our results to quasi-2D organic $κ$-Cl in which altermagnetism is known to appear.

cond-mat.str-el

Large critical fields in superconducting Ti$_{4}$Ir$_2$O from spin-orbit coupling

The recently synthesized $η$-carbide-type superconductors exhibit large critical fields. A notable example is Ti$_4$Ir$_2$O, for which the upper critical field strongly violates the Pauli paramagnetic limit, behavior that is unusual for cubic materials that preserve inversion symmetry. Here, by combining density functional theory (DFT) and analytic modeling, we provide an explanation for this enhanced Pauli limiting field. We show that the nonsymmorphic Fd$\overline{3}$m symmetry implies that the electronic states near the X points exhibit strong spin-orbit coupling (SOC), which leads to a vanishing effective $g$-factor and enables the enhanced Pauli limiting field. Furthermore, our DFT results reveal a Van Hove singularity (VHS) peak near the X points, accounting for $\sim$65\% of the total density of states (DOS), occurring near the chemical potential. We propose that the strong SOC and enhanced DOS in the vicinity of the X points provide the origin of the observed enhanced critical field. This leads to a prediction that the magnetic field will lead to a strongly momentum-dependent gap suppression. The gap due to electronic states away from (near to) the X points will be rapidly (slowly) suppressed by fields.

cond-mat.supr-con

Minimal Models for Altermagnetism

Altermagnets feature vanishing net magnetization, like antiferromagnets, but exhibit time-reversal symmetry breaking and momentum-dependent spin-split band structures. Motivated by the prevalence of altermagnetic materials with non-symmorphic symmetry-dictated band degeneracies, we provide realistic minimal models for altermagnetism by constructing tight-binding models for nonsymmorphic space groups with a sublattice defined by two magnetic atoms. These models can be applied to monoclinic, orthorhombic, tetragonal, rhombohedral, hexagonal, and cubic materials and can describe d-wave, g-wave, and i-wave altermagnetism. By examining the altermagnetic susceptibility and mean field instabilities within a Hubbard model we reveal that these models have altermagnetic ground states and yield a Berry curvature that is linear in the spin-orbit coupling. We apply our models to RuO$_2$, MnF$_2$, FeSb$_2$, $κ$-Cl, CrSb, and MnTe.

cond-mat.str-el

Nematic Bogoliubov Fermi surfaces from magnetic toroidal order in FeSe$_{1-x}$S$_x$

Recently it has been argued that the superconducting state of FeSe$_{1-x}$S$_x$ exhibits Bogoliubov Fermi surfaces for $x>0.17$. These Bogoliubov Fermi surfaces appear together with broken time-reversal symmetry and surprisingly demonstrate nematic behavior in a structurally tetragonal phase. Through a symmetry-based analysis of Bogoliubov Fermi surfaces that can arise from broken time-reversal symmetry, we argue that the likely origin of time-reversal symmetry breaking is due to magnetic toroidal order. We show that this magnetic toroidal order naturally appears as a consequence of either static Néel antiferromagnetic order or due to the formation of a spontaneous pair density wave superconducting order. Finally, we reveal that independent of the presence of Bogoliubov Fermi surfaces, supercurrents will induce Néel magnetic order in many Fe-based superconductors.

cond-mat.supr-con