arXiv subjects

Igor I. Mazin

Publications and source records attributed to Igor I. Mazin.

At least 37 records · Page 2Linked to original sources

arXiv2025

Designing Flat Bands, Localized and Itinerant States in TaS2 Trilayer Heterostructures

Stacking and twisting van der Waals materials provide a powerful tool to design quantum matter and engineer electron correlation. For instance, monolayers of 1T- and 1H-TaS2 are Mott insulating and metallic (also superconducting), respectively, and thus, the T/H bilayer systems have been extensively investigated in the context of heavy fermions and unconventional superconductivity, which are expected phases from localized spins (1T) coexisting with itinerant electrons (1H). However, recent studies revealed that significant charge transfer from the 1T to 1H layers removes the 1T Mottness and renders the above scenario elusive. In this work, we propose a T/T/H trilayer heterostructure by combining a T/T bilayer -- which is a band insulator with flat dispersion -- with a 1H layer. After charge redistribution, this trilayer heterostructure shows localized spins in the Mott flat band of the T/T bilayer and weak spin polarization in the metallic H layer. We argue that by varying the stacking configurations of the T/T bilayer in the T/T/H trilayer, a crossover from a doped Mott insulator to a Kondo insulator can be achieved. The T/T/H trilayer provides therefore a rich novel heterostructure platform to study strong correlation phenomena and unconventional superconductivity.

cond-mat.mtrl-sci↗

arXiv2025

Giant coercivity and enhanced intrinsic anomalous Hall effect at vanishing magnetization in a compensated kagome ferrimagnet

Ferrimagnets that can be driven to magnetic compensation show promise for use in spintronics as they exhibit a finite anomalous Hall effect at zero magnetic field without having a significant magnetic moment. Compensated ferrimagnet spintronic devices with both a large anomalous Hall effect and a high coercivity would be simultaneously easy to read and difficult to erase. The kagome ferrimagnet TbMn$_6$Sn$_6$ has been reported to host a large intrinsic anomalous Hall effect. Here, we demonstrate that doping the Mn sites with Cr drives the system towards magnetic compensation. For nearly compensated compositions at low temperatures, giant coercive fields exceeding 14 T are observed. Additionally, Cr doping significantly enhances the intrinsic anomalous Hall effect, which can be attributed to a shift in the Fermi level. Our results extend the range of unique magnetic states observed in kagome materials, demonstrating that chemical doping is an effective strategy to tune and realize these states.

cond-mat.str-el↗

arXiv2025

Origin of Anomalous Hall effect in Cr-doped RuO$_2$

RuO$_2$ is one of the most highlighted candidates for altermagnetism. However, the most recent muon spin spectroscopy and neutron studies demonstrated the absence of magnetic order in this system. The electronic structure of RuO$_2$ hints at a possibility of realizing a magnetically ordered state upon hole doping, and such a possibility was explored experimentally in Cr-doped RuO$_2$, where it was suggested that this system exhibits the anomalous Hall effect (AHE) due to altermagnetism. In this manuscript, based on our density functional calculations, we revise the results obtained for this system and propose a different interpretation of experimental results. Our calculations suggest that extra holes are bound to Cr impurity and do not dope Ru bands, which remain nonmagnetic. Thus, the observed AHE is not due to the altermagnetism but stems entirely from magnetic Cr ions.

cond-mat.mtrl-sci↗

arXiv2024

Three-dimensional nature of anomalous Hall conductivity in YMn6Sn6-xGax, x ~ 0.55

The unique connectivity of kagome lattices gives rise to topological properties, such as flat bands and Dirac cones. When combined with ferromagnetism and a chemical potential near the 2D Dirac points, this structure offers the potential to realize the highly sought-after topological Chern magnetotransport. Recently, there was considerable excitement surrounding this possibility in the ferrimagnetic kagome metal TbMn$_\mathbf{6}$Sn$_\mathbf{6}$. However, density functional theory (DFT) calculations reveal that the 2D Chern gap lies well above the Fermi energy, challenging its relevance in the observed anomalous Hall conductivity. Here, we investigate YMn$_\mathbf{6}$Sn$_\mathbf{5.45}$Ga$_\mathbf{0.55}$, a compound with similar crystallographic, magnetic, and electronic properties to TbMn$_\mathbf{6}$Sn$_\mathbf{6}$. Our findings show that the intrinsic anomalous Hall conductivity in this material, while comparable in magnitude to that in TbMn$_\mathbf{6}$Sn$_\mathbf{6}$, is fully three-dimensional, thus providing experimental evidence that Hall conductivity in this class of materials does not originate from 2D Chern gaps. Additionally, we confirm that the newly proposed empirical scaling relation for extrinsic Hall conductivity is universally governed by spin fluctuations.

cond-mat.mtrl-sci↗

arXiv2024

A toy model for 2-dimensional spin-fluctuation-induced unconventional superconductivity

Superconductivity had been one of the most enigmatic phenomena in condensed matter physics, puzzling the best theorists for 45 years, since the original discovery by Kamerlingh-Onnes in 1911 till the final solution by Bardeen, Cooper and Schrieffer (BCS) in 1957. The original BCS proposal assumed the highest-symmetry form for the superconducting order parameter Delta, namely, a constant, and a uniform pairing interaction due to attractive mediation of ionic vibration. While it was rather soon realized that generalizations onto k-dependent order parameters and anisotropic pairing interaction was straightforward, only thirty years later, upon the discovery of high-temperature superconductivity in cuprates, high-order angular dependence of Delta and repulsive interaction, mediated by spin fluctuations or Coulomb repulsion brought such "unconventional" into the spotlight. In 2008 yet another such system was discovered, and eventually the idea of repulsion-mediated unconventional superconductivity was generally accepted. Apart from the two specific systems mentioned above, a large number of various specific implementations of this idea have been proposed, and it is becoming increasingly clear that it is worth studying mathematically how unconventional superconductivity emerges, and with what properties, for a simple, but sufficiently general theoretical model. In our project, we study systematically unconventional superconductivity in an isotropic two-dimensional model system of electrons, subjected to repulsive interactions of a simple, but physically motivated form: a Dirac-delta function peaked at a particular momentum (from 0 to twice the Fermi momentum), or Gaussian of varying widths.

cond-mat.supr-con↗

arXiv2024

The mysterious magnetic ground state of Ba14MnBi11 is likely altermagnetic

Mn-based transition metal Zintl compounds in the 14-1-11 phase are known to host complex atomic and magnetic structures owing to their intricate crystal structure. Among them, Ba14MnBi11 stands out as one of the least understood compounds, with experimental measurements and theoretical findings largely inconsistent. Following up on the earlier attempt [D. Sanchez-Portal et al., PRB 65, 144414 (2002)] at establishing a connection between metallicity and magnetism through a DFT-based analysis, our work aims to provide additional insights to resolve the existing contradictions. Our key finding is that the magnetic ground state is very susceptible to charge doping. DFT calculations for stoichiometric Ba14MnBi11 give a rather stable ferromagnetic metallic ground state. However, by adding exactly one additional electron per Mn, the system becomes semiconducting and the magnetic ground state becomes weakly antiferromagnetic (AF). On the other hand, upon small hole doping the system transitions to a special type of AF state known as altermagnetic ordering. The observed trends suggest that hole and electron doping-induced phase transitions likely result from different underlying mechanisms, influencing various exchange pathways. Additionally, our projected density-of-states along with bandstructure analyses indicate that, besides the largest hole contribution coming from the tetrahedral unit of Bi, the isolated Bi sites also play a substantial role and the dispersive bands near VBM suggest a rather complex hybridization network involving both Bi band characters. Through a comprehensive comparison of available data and our analysis, we propose that the inconsistency in magnetic states between experimental findings and DFT calculations is due to nonstoichiometric effects, likely impurities or defects.

cond-mat.mtrl-sci↗

arXiv2024

Topological Hall effect induced by chiral fluctuations in ErMn6Sn6

Topological Hall effect (THE) is a hallmark of scalar spin chirality, which is found in static skyrmion lattices. Recent theoretical works have shown that scalar spin chirality could also emerge dynamically from thermal spin fluctuations. Evidence of such a mechanism was found in the kagome magnet YMn6Sn6 where fluctuations arise from frustrated exchange interactions between Mn kagome layers. In YMn6Sn6, the rare-earth ion Y3+ is non-magnetic. When it is replaced by a magnetic ion (Gd3+-Ho3+), the intrinsically antiferromagnetic Mn-Mn interlayer coupling is overwhelmed by the indirect ferromagnetic Mn-R-Mn one, relieving frustration. This generates interesting anomalous Hall conductivity, but not THE. Here we show that Er lies in an intermediate regime where direct and indirect interactions closely compete, so that ErMn6Sn6 can switch from one regime to the other by temperature, i.e., from a collinear ferrimagnetic ground state to a spiral antiferromagnet at 78 K. The AFM phase forms a dome in the temperature-field phase diagram. Close to the boundary of this dome, we find a sizable fluctuations-driven THE, thus underscoring the universality of this chiral fluctuation mechanism for generating non-zero scalar spin chirality.

cond-mat.mes-hall↗

arXiv2024

Absence of magnetic order in RuO$_2$: insights from $μ$SR spectroscopy and neutron diffraction

Altermagnets are a novel class of magnetic materials besides ferro- and antiferromagnets, where the interplay of lattice and spin symmetries produces a magnetic order that is staggered both in coordinate as well as momentum space. The metallic rutile oxide RuO$_2$, long believed to be a textbook Pauli paramagnet, recently emerged as a workhorse altermagnet when resonant X-ray and neutron scattering studies reported nonzero magnetic moments and long-range collinear order. While experiments on thin films seem consistent with altermagnetic behavior, the origin and size of magnetic moments in RuO$_2$ still remain controversial. Here we show that RuO$_2$ is nonmagnetic, regardless if as bulk or thin film. Employing muon spin spectroscopy as a highly sensitive probe of local magnetic moments complemented by density functional theory, we find at most $1.4 \times 10^{-4} $ $μ_B$/Ru in bulk RuO$_2$ and at most $7.5 \times 10^{-4}$ $μ_B$/Ru in epitaxial films. In their essence, these moments reflect the detection limit of our spectrometers and are orders of magnitude smaller than previously reported neutron results, i.e., the moments previously assumed to rationalize altermagnetic behavior. Our own neutron diffraction measurements on RuO$_2$ single crystals identify multiple scattering as a likely source for this discrepancy.

cond-mat.mtrl-sci↗

arXiv2024

A tool to check whether a symmetry-compensated collinear magnetic material is antiferro- or altermagnetic

Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splitting of electronic bands and resulting spin-splitter current). Since the moment compensation in AM is driven by symmetry, it must be possible to identify them by analyzing the crystal structure directly, without computing the electronic structure. Given the significant potential of AM for spintronics, it is very useful to have a tool for such an analysis. This work presents an open-access code implementing such a direct check.

cond-mat.mtrl-sci↗

arXiv2024

Highly unusual, doubly-strongly-correlated, altermagnetic, 3D analogue of parent compounds of high-Tc cuprates

Discovery of high-temperature superconductivity (HTSC) in strongly correlated cuprates opened a new chapter in condensed matter physics, breaking existing stereotypes of what is a material base for a good superconductor ("Matthias rules"), at the same time emphasizing richness and challenge of strongly correlated physics, personified by the most strongly correlated 3d ion, Cu2+. A recently reported new compound, CuAg(SO4)2, combines in a fascinating way the same ion with the most strongly correlated 4d one, Ag2+. In this Letter, we present a detailed analysis of electronic and magnetic properties of this material, and show that it is very different from the HTSC cuprates in several different ways, and opens a door into further research of superconductivity and magnetism, in particular altermagnetism, in strongly correlated materials.

cond-mat.str-el↗

arXiv2024

Fragility of the magnetic order in the prototypical altermagnet RuO$_2$

Altermagnetism is a topic that has lately been gaining attention and the RuO$_2$ compound is among one of the most studied altermagnetic candidates. However, the survey of available literature on RuO$_2$ properties suggests that there is no consensus about the magnetism of this material. By performing density functional theory calculations, we show that the electronic properties of stoichiometric RuO$_2$ are described in terms of a smaller Hubbard $U$ within DFT+$U$ than the value required to have magnetism. We further argue that Ru vacancies can actually aid the formation of a magnetic state in RuO$_2$. This in turn suggests that a characterization of the amount of Ru vacancies in experimental samples might help the resolution of the controversy between the different experimental results.

cond-mat.mtrl-sci↗

arXiv2023

Exploring Metamagnetism in Triangular Ising Networks: Insights from Further-Neighbor Interactions with a Case Study on ErGa2

The classical Ising model on the triangular lattice (we will call it I-3 model below), while simple in the nearest-neighbors (NN) only approximation, becomes increasingly richer and more complex when further interactions are incorporated. However, the studies so far have not been exhaustive, nor have any attempts been made to estimate how realistic are the parameter ranges that generate strong metamagnetism with a large number of magnetization steps. In this study, we identify one such candidate, ErGa$_{2}$, a material known to have one strong magnetization step, albeit some narrow steps below and above cannot be confidently excluded. It has been established, and we can confirm the same computationally, to have an easy axis perpendicular to the triangular Er plane, with a strong anisotropy and with a large magnetic moment of $9.5\:μ_{B}$, making it a perfect implementation of the classical I-3 model. In the first part of the analysis, we present the I-3 model with up to the third nearest-neighbors in a range of parameters $J_{2}$ and $J_{3}$ ($J_{1}$ in this part is set to 1), and in some cases adding a rather small $J_{4}$ in order to reveal new phases otherwise degenerate with some others. The richest phase diagram is, not surprisingly, observed when all interactions are antiferromagnetic (AF). Subsequently, a more realistic case, inspired by RKKY and by our calculations for ErGa$_{2}$, where $J_{1},J_{2}>0$ (antiferromagnetic) and $J_{3},J_{4}<0$ (ferromagnetic), is presented. Finally, we report our first-principles calculations of $J_{1-4}$ in ErGa$_{2}$ and compared the phase diagram in the regime corresponding to the calculated values with the experiment.

cond-mat.mtrl-sci↗

arXiv2023

Magnetic properties of multi-domain epitaxial EuPd$_2$ thin films

Europium intermetallic compounds show a variety of different ground states and anomalous physical properties due to the interactions between the localized 4f electrons and the delocalized electronic states. Europium is also the most reactive of the rare earth metals which might be the reason why very few works are concerned with the properties of Eu-based thin films. Here we address the low-temperature magnetic properties of ferromagnetic EuPd$_2$ thin films prepared by molecular beam epitaxy. The epitaxial (111)-oriented thin films grow on MgO (100) with eight different domain orientations. We analyze the low-temperature magnetic hysteresis behavior by means of micromagnetic simulations taking the multi-domain morphology explicitly into account and quantify the magnetic crystal anisotropy contribution. By ab initio calculations we trace back the microscopic origin of the magnetic anisotropy to thin film-induced biaxial strain.

cond-mat.mtrl-sci↗

arXiv2023

"Extraordinary" Phase Transition Revealed in a van der Waals Antiferromagnet

While the surface-bulk correspondence has been ubiquitously shown in topological phases, the relationship between surface and bulk in Landau-like phases is much less explored. Theoretical investigations since 1970s for semi-infinite systems have predicted the possibility of the surface order emerging at a higher temperature than the bulk, clearly illustrating a counterintuitive situation and greatly enriching phase transitions. But experimental realizations of this prediction remain missing. Here, we demonstrate the higher-temperature surface and lower-temperature bulk phase transitions in CrSBr, a van der Waals (vdW) layered antiferromagnet. We leverage the surface sensitivity of electric dipole second harmonic generation (SHG) to resolve surface magnetism, the bulk nature of electric quadrupole SHG to probe bulk spin correlations, and their interference to capture the two magnetic domain states. Our density functional theory calculations show the suppression of ferromagnetic-antiferromagnetic competition at the surface responsible for this enhanced surface magnetism. Our results not only show unexpected, richer phase transitions in vdW magnets, but also provide viable ways to enhance magnetism in their 2D form.

cond-mat.mtrl-sci↗

arXiv2023

Giant lattice softening at a Lifshitz transition in Sr$_{2}$RuO$_{4}$

The interplay of electronic and structural degrees of freedom in solids is a topic of intense research. Experience and intuition suggest that structural changes drive conduction electron behavior, because the large number of valence electrons dominate the structural properties. As part of a seminal paper written over sixty years ago, Lifshitz discussed an alternative possibility: lattice softening driven by conduction electrons at topological Fermi surface transitions. The effect he predicted, however, was small, and has not been convincingly observed. Using measurements of the stress-strain relationship in the ultra-clean metal Sr$_{2}$RuO$_{4}$, we reveal a huge softening of the Young's modulus at a Lifshitz transition of a two-dimensional Fermi surface, and show that it is indeed entirely driven by the conduction electrons of the relevant energy band.

cond-mat.str-el↗

arXiv2023

Assessing the source of error in the Thomas-Fermi-von Weizsäcker density functional

We investigate the source of error in the Thomas-Fermi-von Weizsäcker (TFW) density functional relative to Kohn-Sham density functional theory (DFT). In particular, through numerical studies on a range of materials, for a variety of crystal structures subject to strain and atomic displacements, we find that while the ground state electron density in TFW orbital-free DFT is close to the Kohn-Sham density, the corresponding energy deviates significantly from the Kohn-Sham value. We show that these differences are a consequence of the poor representation of the linear response within the TFW approximation for the electronic kinetic energy, confirming conjectures in the literature. In so doing, we find that the energy computed from a non-self-consistent Kohn-Sham calculation using the TFW electronic ground state density is in very good agreement with that obtained from the fully self-consistent Kohn-Sham solution.

cond-mat.mtrl-sci↗

arXiv2023

Strain-Switchable Field-Induced Superconductivity

Field-induced superconductivity is a rare phenomenon where an applied magnetic field enhances or induces superconductivity. This fascinating effect arises from a complex interplay between magnetism and superconductivity, and it offers the tantalizing technological possibility of an infinite magnetoresistance superconducting spin valve. Here, we demonstrate field-induced superconductivity at a record-high temperature of T=9K in two samples of the ferromagnetic superconductor Eu(Fe$_{0.88}$Co$_{0.12}$)$_{2}$As$_{2}$. We combine tunable uniaxial stress and applied magnetic field to shift the temperature range of the zero-resistance state between 4K and 10K. We use x-ray diffraction and spectroscopy measurements under stress and field to demonstrate that stress tuning of the nematic order and field tuning of the ferromagnetism act as independent tuning knobs of the superconductivity. Finally, DFT calculations and analysis of the Eu dipole field reveal the electromagnetic mechanism of the field-induced superconductivity.

cond-mat.supr-con↗

arXiv2023

Silvanite AuAgTe$_4$: a rare case of gold superconducting material

Gold is one of the most inert metals, forming very few compounds, some with rather interesting properties, and only two of them currently known to be superconducting under certain conditions (AuTe$_2$ and SrAuSi$_3$). Compounds of another noble element, Ag, are also relatively rare, and very few of them are superconducting. Finding new superconducting materials containing gold (and silver) is a challenge - especially having in mind that the best high-$T_c$ superconductors at normal conditions are based upon their rather close ''relative'', Cu. Here we report combined X-ray diffraction, Raman, and resistivity measurements, as well as first-principles calculations, to explore the effect of hydrostatic pressure on the properties of the sylvanite mineral, AuAgTe$_4$. Our experimental results, supported by density functional theory, reveal a structural phase transition at $\sim$5 GPa from a monoclinic $P2/c$ to $P2/m$ phase, resulting in almost identical coordinations of Au and Ag ions, with rather uniform interatomic distances. Further, resistivity measurements show the onset of superconductivity at $\sim$1.5 GPa in the $P2/c$ phase, followed by a linear increase of $T_c$ up to the phase transition, with a maximum in the $P2/m$ phase, and a gradual decrease afterwards. Our calculations indicate phonon-mediated superconductivity, with the electron-phonon coupling coming predominantly from the low-energy phonon modes. Thus, along with the discovery of a new superconducting compound of gold/silver, our results advance understanding of the mechanism of the superconductivity in Au-containing compounds, which may pave the way to the discovery of novel ones.

cond-mat.str-el↗