arXiv subjects

Krzysztof Gofryk

Publications and source records attributed to Krzysztof Gofryk.

At least 19 recordsLinked to original sources

arXiv2026

Staged emergence of anomalous Hall transport in a correlated uranium Weyl semimetal

Understanding how electronic correlations reshape topological states remains a central challenge in quantum materials. Here we investigate the uranium ferromagnet UPS using magnetotransport, angle-resolved photoemission spectroscopy, thermodynamic measurements, and first principles calculations. Resonant photoemission reveals narrow U-$5f$ spectral weight at the Fermi level coexisting with broad incoherent states, consistent with the itinerant/localized duality characteristic of uranium $5f$ electrons. The anomalous Hall conductivity reaches approximately $4.5\times10^{2}\,Ω^{-1}\mathrm{cm}^{-1}$, yet does not simply follow the ordered magnetic moment. Temperature dependent photoemission reveals relatively little change across $T_C=118$~K, followed by a pronounced redistribution of low-energy $5f$ spectral weight below approximately 90~K. First-principles calculations identify a symmetry protected Weyl crossing with pronounced Berry curvature and yield an intrinsic anomalous Hall conductivity of approximately $9.6\times10^{2}\,Ω^{-1}\mathrm{cm}^{-1}$. These results demonstrate that magnetic order, correlated electronic reconstruction, and anomalous Hall transport develop over distinct but overlapping temperature ranges, revealing how strong correlations reshape topological transport in a uranium Weyl semimetal.

cond-mat.str-el↗

arXiv2025

Topological character of the antiferromagnetic EuMg$_{2}$Bi$_{2}$

Antiferromagnetic EuM$_{2}$Pn$_{2}$ compounds, where M is a metal element and Pn is a pnictogen element, have been recognized as candidates for realizing a topologically nontrivial electronic structure. In this paper, we focus on EuMg$_2$Bi$_2$, whose topological nature still remains unclear. We present a comprehensive study based on several experimental and theoretical techniques. Magnetic susceptibility, electrical resistivity, and specific heat capacity measurements confirm the existence of an antiferromagnetic ordering. The electronic band structure was investigated by high-resolution angle-resolved photoemission spectroscopy (ARPES), supported by ab initio calculations. ARPES measurement reveals that the electronic structure of this system is dominated by linearly dispersive hole-like bands near the Fermi level. Theoretical analyses of the electronic band structure indicates that EuMg$_2$Bi$_2$ is a strong topological insulator, which should be reflected in the presence of a metallic surface state. We also theoretically examine the magnetic-field-induced anomalous Hall conductivity, confirming previously reported observations.

cond-mat.mtrl-sci↗

arXiv2025

The stability and topological behaviors in lanthanide antiperovskite nitrides: a high-throughput study

Antiperovskite (APV) nitrides exhibit a diverse range of electronic properties, including superconductivity, magnetic effects, and nontrivial topological behaviors. In this study, we propose a new family of APV nitrides by incorporating 4$f$-electron metals, known for strong electron correlations, localized magnetic moments, and spin-orbit coupling, to further explore the unique properties of APVs. A high-throughput density functional theory (DFT) calculation was utilized to identify stable lanthanide APV nitride compounds. To address the challenge of strong electron correlation, we developed a double-screening framework that assumes either a fully itinerant or localized nature of the $f$-electrons during calculations. Using this approach, we systematically identified 37 stable lanthanide APV nitride compounds from both thermodynamic and dynamical perspectives. Furthermore, we report nontrivial topological behaviors observed among these stable lanthanide APV nitride compounds, as computed by DFT. Notably, Dirac and semi-Dirac cones are observed near the Fermi level for Er$_3$TlN. This study opens a pathway to investigate lanthanide APVs, revealing potential novel physical properties by leveraging the rich physics of both APVs and $f$-electrons.

cond-mat.mtrl-sci↗

arXiv2025

Electronic Structure of a Nodal Line Semimetal Candidate TbSbTe

The LnSbTe (Ln = Lanthanides) family, like isostructural ZrSiS type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we report a detailed electronic band structure investigation of TbSbTe, corroborated by electrical transport, thermodynamic, and magnetic studies. Temperature-dependent magnetic susceptibility and thermodynamic transport studies indicate the onset of antiferromagnetic ordering below TN = 5.1 K. The electronic band structure study, carried out with high-resolution angle-resolved photoemission spectroscopy (ARPES) measurements aided with density functional theory based first-principles calculations reveals presence of nodal lines in the GammaX high symmetry direction, forming a diamond-shaped nodal plane around Gamma high symmetry point. A strongly photon energy dependent nodal feature located at the X point of the surface Brillouin zone, indicating an extended nodal line along X R direction, is also observed. This study elucidates the intricate interplay among symmetry-protected band characteristics, the influence of spin orbit coupling, magnetism, and topological properties.

cond-mat.mes-hall↗

arXiv2025

Observation of momentum dependent charge density wave gap in EuTe4

The occurrence of charge density wave (CDW) phenomena, particularly in low dimensional rare-earth chalcogenides, has attracted substantial research interest. Among these materials, EuTe4, which features multiple Te layers and a single Eu-Te layer, serves as a promising platform to study the interplay between CDW order and 4f electron configurations, including magnetism. In this study, First principles based density functional theory (DFT) calculations were carried out to investigate the electronic band structure modifications arising from CDW modulation. Angle resolved photoemission spectroscopy (ARPES) revealed the emergence of a CDW gap at the Fermi level, as well as hybridization induced gap features at lower binding energies. The low lying CDW gap reaches its maximum along the Gamma-Y high-symmetry direction and a minimum along GX reflecting the anisotropic nature of the electronic structure. We also performed low temperature heat capacity measurements in applied magnetic fields near the Neel temperature (TN ~ 6.9 K) to construct the magnetic phase diagram of EuTe4. This study provides valuable insight into the directional dependent evolution of the Fermi surface nesting induced CDW ordering, along with other observed gap openings within this system.

cond-mat.mes-hall↗

arXiv2025

Electronic structure in a rare-earth based nodal-line semimetal candidate PrSbTe

Nodal line semimetals feature topologically protected band crossings between the bulk valence and conduction bands that extend along a finite dimension in the form of a line or a loop. While ZrSiS and similar materials have attracted extensive research as hosts for the nodal line semimetallic phase, an alternative avenue has emerged in the form of isostructural rare-earth (RE) based RESbTe materials. Such systems possess intriguing potentialities for harboring elements of magnetic ordering and electronic correlations owing to the presence of 4f electrons intrinsic to the RE elements. In this study, we have carried out angle resolved photoemission spectroscopy (ARPES) and thermodynamic measurements in conjunction with first principles computations on PrSbTe to elucidate its electronic structure and topological characteristics. Magnetic and thermal characterizations indicate the presence of well-localized 4f states with the absence of any discernible phase transition down to 2 K. The ARPES results reveal the presence of gapless Dirac crossings that correspond to a nodal-line along the XR direction in the three-dimensional Brillouin zone. Furthermore, Dirac crossing that makes up nodal line, which forms a diamond-shaped nodal plane centered at the center of the Brillouin zone is also identified within the experimental resolution. This study on the electronic structure of PrSbTe contributes to the understanding of the pivotal role played by spin-orbit coupling in the context of the RESbTe family of materials

cond-mat.mtrl-sci↗

arXiv2024

Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in UxTh1-xO2 system

Vibrational and magnetic properties of single-crystal uranium-thorium dioxide (UxTh1-xO2) with a full range of 0<x<1 is investigated. Thorium dioxide is a diamagnet whose thermal properties are governed by lattice vibration. The addition of paramagnetic uranium ion leads to the emergence of magnetic effects that alter the thermophysical properties noticeably even at room temperature. The interaction of phonons with magnetic moments of uranium 5f electrons mediated by magnetoelastic coupling results in an anomalous low-temperature thermal conductivity profile. Analysis of the magnetic susceptibility measurements indicates a uranium-concentration-dependent reduction in effective magnetic moment previously associated with the dynamic Jahn-Teller (DJT) effect. The T2g Raman peak position follows a nonlinear trend as a function of uranium concentration and hints that these Raman active optical modes play a role in either DJT or mediating quadrupole-quadrupole interactions. A first principle-based thermal transport model is implemented to explain the low-temperature transport measurements, where the anomalous reduction is attributed to phonon-spin resonant scattering. The interplay between spins and phonons is also captured using high-resolution inelastic X-ray scattering (IXS) measurements of phonon linewidths. Our results provide new insights into the phonon interactions with the magnetic excitations governing DJT effect and impacting the low-temperature thermal transport processes in this material system. These findings have implications for understanding low-temperature thermal transport and magnetic properties in advanced materials for information processing and energy applications.

cond-mat.str-el↗

arXiv2024

Crystal Structure and Magnetism of Actinide Oxides: A Review

In actinide systems, the 5f electrons experience a uniquely delicate balance of effects and interactions having similar energy scales, which are often difficult to properly disentangle. This interplay of factors such as the dual nature of 5f-states, strong electronic correlations, and strong spin-orbit coupling results in electronically unusual and intriguing behavior such as multi-k antiferromagnetic ordering, multipolar ordering, mott-physics, mixed valence configurations, and more. Despite the inherent allure of their exotic properties, the exploratory science of even the more basic, binary systems like the actinide oxides has been limited due to their toxicity, radioactivity, and reactivity. In this article, we provide an overview of the available synthesis techniques for selected binary actinide oxides, including the actinide dioxides, sesquioxides, and a selection of higher oxides. For these oxides, we also review and evaluate the current state of knowledge of their crystal structures and magnetic properties. In many aspects, substantial knowledge gaps exist in the current body of research on actinide oxides related to understanding their electronic ground states. Bridging these gaps is vital for improving not only a fundamental understanding of these systems but also of future nuclear technologies. To this end, we note the experimental techniques and necessary future investigations which may aid in better elucidating the nature of these fascinating systems.

cond-mat.str-el↗

arXiv2024

Phonon thermal transport in UO$_2$ via self-consistent perturbation theory

Computing thermal transport from first-principles in UO$_2$ is complicated due to the challenges associated with Mott physics. Here we use irreducible derivative approaches to compute the cubic and quartic phonon interactions in UO$_2$ from first-principles, and we perform enhanced thermal transport computations by evaluating the phonon Green's function via self-consistent diagrammatic perturbation theory. Our predicted phonon lifetimes at $T=600$ K agree well with our inelastic neutron scattering measurements across the entire Brillouin zone, and our thermal conductivity predictions agree well with previous measurements. Both the changes due to thermal expansion and self-consistent contributions are nontrivial at high temperatures, though the effects tend to cancel, and interband transitions yield a substantial contribution.

cond-mat.mtrl-sci↗

arXiv2022

Competition of Magnetocrystalline Anisotropy of Uranium Layers and Zig-Zag Chains in UNi$_{0.34}$Ge$_2$ Single Crystals

Structural and thermodynamic properties of single-crystalline UNi$_{1-x}$Ge$_2$ with $x$\,=\,0.66 have been investigated by measuring magnetization, specific heat, and thermal expansion over a wide range of temperatures and magnetic fields. The measurements revealed the emergence of a long-range antiferromagnetic ordering of uranium magnetic moments below the N{é}el temperature $T_{\rm N}$\,=\,45.5\,K and the existence of two easy axes in the studied compound, namely $b$ and $c$, which correspond to the planes of the uranium zig-zag chains. Magnetic field applied along these two crystallographic directions induces in the system a first-order metamagnetic phase transition (from antiferromagnetism to field-polarized paramagnetism), and the width of the magnetic hysteresis associated with that transition reaches as much as 40 kOe at the lowest temperatures. A magnetic phase diagram developed from the experimental data showed that the metastable region associated with that magnetic hysteresis forms a funnel that narrows toward the N{é}el point in zero magnetic field. The four-layer Ising model has successfully predicted the collinear antiferromagnetic structure in UNi$_{0.34}$Ge$_2$ (known from earlier reports), its magnetic phase diagram, and temperature and field variations of its magnetization. Moreover, it suggests that the first-order phase transition extends down to zero magnetic field, although it is barely detectable in the experiments performed in low magnetic fields. According to this model, the second-order phase transition occurs in the compound only in zero field.

cond-mat.str-el↗

arXiv2022

Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phonons

Uranium dioxide (UO$_2$) remains a formidable challenge for first-principles approaches, due to the complex interplay among spin-orbit coupling, Mott physics, magnetic ordering, and crystal distortions. Here we use DFT+$U$ to explore UO$_2$ at zero temperature, incorporating all the aforementioned phenomena. The technical challenge is to navigate the many metastable electronic states produced by DFT+$U$, which is acomplished using $f$-orbital occupation matrix control to search for the ground state. We restrict our search to the high-symmetry ferromagnetic phase, including spin-orbit coupling, which produces a previously unreported occupation matrix. This newfound occupation matrix is then used as an initialization to explore the broken symmetry phases. We find the oxygen cage distortion of the 3k antiferromagnetic state to be in excellent agreement with experiments, and both the spin-orbit coupling and the Hubbard $U$ are critical ingredients. We demonstrate that only select phonon modes have a strong dependence on the Hubbard $U$, whereas magnetic ordering has only a small influence overall. We perform measurements of the phonon dispersion curves using inelastic neutron scattering, and our calculations show good agreement when using reasonable values of $U$. The quantitative success of DFT+$U$ warrants exploration of thermal transport and other observables within this level of theory.

cond-mat.mtrl-sci↗

arXiv2022

Boundary scattering in micro-size crystal of topological Kondo insulator SmB$_6$

We have studied the effects of phonon-boundary scattering on the thermal transport in topological Kondo insulator, SmB$_6$. The studies have been performed by using the $3ω$ method in the temperature range 300K - 3K. We show that the observed thermal conductivity of micro-size SmB$_6$ is of the order of magnitude smaller than for a bulk single-crystal. Using the Callaway model we analyzed the low-temperature lattice thermal conductivity of the micro crystal and show that phonon scattering by sample boundaries plays a major role in the thermal resistance in this topological material. In addition, we show that the temperature dependence of the lattice thermal conductivity shows a double peak structure that suggests complex phonon-phonon or phonon-defects interactions in SmB$_6$. These findings provide guidance for the understanding of the thermal transport of advanced materials and devices at a micro-scale.

cond-mat.mtrl-sci↗

arXiv2022

Thermal Energy Transport in Oxide Nuclear Fuel

To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts seek solid fuels that must withstand unprecedented temperature and radiation extremes. In these advanced fuels, thermal energy transport under irradiation is directly related to reactor performance as well as reactor safety. The science of thermal transport in nuclear fuel is a grand challenge due to both computational and experimental complexities. Here, we provide a comprehensive review of thermal transport research on two actinide oxides: one currently in use in commercial nuclear reactors, uranium dioxide (UO2), and one advanced fuel candidate material, thorium dioxide (ThO2). In both materials, heat is carried by lattice waves or phonons. Crystalline defects caused by fission events effectively scatter phonons and lead to a degradation in fuel performance over time. Bolstered by new computational and experimental tools, researchers are now developing the foundational work necessary to accurately model and ultimately control thermal transport in advanced nuclear fuel. We begin by reviewing research aimed at understanding thermal transport in perfect single crystals. The absence of defects enables studies that focus on the fundamental aspects of phonon transport. Next, we review research that targets defect generation and evolution. Here, the focus is on ion irradiation studies used as surrogates for damage caused by fission products. We end this review with a discussion of modeling and experimental efforts directed at predicting and validating mesoscale thermal transport in the presence of irradiation defects. While efforts into these research areas have been robust, challenging work remains in developing holistic tools to capture and predict thermal energy transport across widely varying environmental conditions.

cond-mat.str-el↗

arXiv2022

High Phonon Scattering Rates Suppress Thermal Conductivity in Hyperstoichiometric Uranium Dioxide

Uranium dioxide (UO$_2$), one of the most important nuclear fuels, can accumulate excess oxygen atoms as interstitial defects, which significantly impacts thermal properties. In this study, thermal conductivities and inelastic neutron scattering measurements on UO$_2$ and UO$_{2+x}$ (x=0.3, 0.4, 0.8, 0.11) were performed at low temperatures (2-300 K). The thermal conductivity of UO$_{2+x}$ is significantly suppressed compared to UO$_2$ except near the Néel temperature TN= 30.8 K, where it is independent of x. Phonon measurements demonstrate that the heat capacities and phonon group velocities of UO$_2$ and UO$_{2+x}$ are similar and that the suppressed thermal conductivity in UO$_{2+x}$ results from high phonon scattering rates. These new insights advance our fundamental understanding of thermal transport properties in advanced nuclear fuels.

cond-mat.mtrl-sci↗

arXiv2021

Unusual magnetic and transport properties in HoMn$_6$Sn$_6$ kagome magnet

With intricate lattice structures, kagome materials are an excellent platform to study various fascinating topological quantum states. In particular, kagome materials, revealing large responses to external stimuli such as pressure or magnetic field, are subject to special investigation. Here, we study the kagome-net HoMn$_6$Sn$_6$ magnet that undergoes paramagnetic to ferrimagnetic transition (below 376 K) and reveals spin-reorientation transition below 200 K. In this compound, we observe the topological Hall effect and substantial contribution of anomalous Hall effect above 100 K. We unveil the pressure effects on magnetic ordering at a low magnetic field from the pressure tunable magnetization measurement. By utilizing high-resolution angle-resolved photoemission spectroscopy, Dirac-like dispersion at the high-symmetry point K is revealed in the vicinity of the Fermi level, which is well supported by the first-principles calculations, suggesting a possible Chern-gapped Dirac cone in this compound. Our investigation will pave the way to understand the magneto-transport and electronic properties of various rare-earth-based kagome magnets.

cond-mat.str-el↗

arXiv2021

Anisotropically large anomalous and topological Hall effect in a kagome magnet

Recently, kagome materials have become an engrossing platform to study the interplay among symmetry, magnetism, topology, and electron correlation. The latest works on RMn6Sn6 (R = rare earth metal) compounds have illustrated that this family could be intriguing to investigate various physical phenomena due to large spin-orbit coupling and strong magnetic ordering. However, combined transport and spectroscopic studies in RMn6Sn6 materials are still limited. Here, we report magnetic, magneto-transport, and angle-resolved photoemission spectroscopy measurements of a kagome magnet ErMn6Sn6 that undergoes antiferromagnetic (TN = 345 K) to ferrimagnetic (TC = 68 K) phase transitions in the presence of field. We observe large anomalous and topological Hall effects serving as transport signatures of the nontrivial Berry curvature. The isothermal magnetization exhibits strong anisotropic nature and the topological Hall effect of the compound depends on the critical field of metamagnetic transition. Our spectroscopic results complemented by theoretical calculations show the multi-orbital kagome fermiology. This work provides new insight into the tunability and interplay of topology and magnetism in a kagome magnet.

cond-mat.mes-hall↗

arXiv2021

Observation of multiple nodal-lines in SmSbTe

Having been a ground for various topological fermionic phases, the family of ZrSiS-type 111 materials has been under experimental and theoretical investigations. Within this family of materials, the subfamily LnSbTe (Ln = lanthanide elements) is gaining interests in recent times as the strong correlation effects and magnetism arising from the 4f electrons of the lanthanides can provide an important platform to study the linking between topology, magnetism, and correlation. In this paper, we report the systematic study of the electronic structure of SmSbTe - a member of the LnSbTe subfamily - by utilizing angle-resolved photoemission spectroscopy in conjunction with first-principles calculations, transport, and magnetic measurements. Our experimental results identify multiple Dirac nodes forming the nodal-lines along the G- X and Z- R directions in the bulk Brillouin zone (BZ) as predicted by our theoretical calculations. A surface Dirac-like state that arises from the square net plane of the Sb atoms is also observed at the X point of the surface BZ. Our study highlights SmSbTe as a promising candidate to understand the topological electronic structure of LnSbTe materials.

cond-mat.mes-hall↗

arXiv2021

Magnetic anisotropy in uranium monosulfide, probed by the magnetic torque measurements

We have studied the magnetic torque in uranium monosulfide (US) single crystals to explore the magnetic anisotropy in this material. Uranium monosulfide crystallizes in cubic, NaCl-type of crystal structure and exhibits the largest magneto-crystalline anisotropy observed in cubic systems. By performing detailed torque measurements we observe a strongly anisotropic behavior in the paramagnetic phase due to crystal defects and quadrupolar pair interactions. Our studies also confirm the presence of a large anisotropy in the ferromagnetic state of the US system with the <100>, <111>, and <110> directions being hard, easy, and intermediate axis, respectively. Furthermore, the anisotropy in the paramagnetic phase shows similar characteristics to the anisotropy observed in the ferromagnetic phase, as characterized by second and fourth rank susceptibility terms. The similarity of the anisotropic behaviors in paramagnetic and ferromagnetic phases is the consequence of strong magneto-elastic properties in this system, which possibly lead to the rhombohedral structural distortion, not only in the ferromagnetic phase but also in the paramagnetic phase (induced by applied magnetic fiield).

cond-mat.str-el↗