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K. Gofryk

Publications and source records attributed to K. Gofryk.

At least 19 recordsLinked to original sources

Electronic correlations and topology in Kondo insulator PuB$_6$

Utilizing a combination of dynamical mean field theory and density functional theory (DMFT/DFT), it has been theoretically proposed that PuB$_6$ is a strongly correlated topological insulator characterized by nontrivial $\mathbf{Z}_{2}$ topological invariants and metallic surface states (\textit{X. Deng et al., Phys. Rev. Lett. 111, 176404 (2013)}). Here, we demonstrate through low-temperature magneto-transport measurements and first-principles calculations that PuB$6$ exhibits characteristics of a topological Kondo insulating state. These features include a transition in electrical resistivity from high-temperature, thermally activated behavior with a narrow gap at the Fermi level ($\Delta{\rho} \sim$ 20 meV) to a distinctive low-temperature plateau, as well as a surface-to-volume dependence of electrical resistivity at low temperatures. The topological nature of PuB$_6$ is further supported by the theoretical calculations, which show that GGA+$U$ is capable of capturing electronic, topological, and lattice properties of PuB$_6$ with much lower computational cost than DMFT.

cond-mat.str-el

Tuning of electronic properties in highly lattice-mismatched epitaxial SmN

We demonstrate that the electronic properties of epitaxial SmN thin films can be effectively tuned during growth by controlling the synthesis parameters. By carefully adjusting these parameters, we are able to drive SmN from an insulating ferromagnetic state to a ferromagnetic metallic state. However, no signatures of previously reported superconductivity were observed down to 0.35 K, even in the most conductive samples. We discuss possible scenarios for the absence of superconductivity in these films and examine implications for the underlying pairing mechanism in this material. These findings open a new pathway for the epitaxial engineering of multifunctional materials, enabling the monolithic integration of diverse electronic phases, such as ferromagnetism and metallicity, without the lattice mismatch and strain typically associated with heteroepitaxial growth of dissimilar materials.

cond-mat.mtrl-sci

Advances in actinide thin films: synthesis, properties, and future directions

Actinide-based compounds exhibit unique physics due to the presence of 5f electrons, and serve in many cases as important technological materials. Targeted thin film synthesis of actinide materials has been successful in generating high-purity specimens in which to study individual physical phenomena. These films have enabled the study of the unique electron configuration, strong mass renormalization, and nuclear decay in actinide metals and compounds. The growth of these films, as well as their thermophysical, magnetic, and topological properties, have been studied in a range of chemistries, albeit far fewer than most classes of thin film systems. This relative scarcity is the result of limited source material availability and safety constraints associated with the handling of radioactive materials. Here, we review recent work on the synthesis and characterization of actinide-based thin films in detail, describing both synthesis methods and modelling techniques for these materials. We review reports on pyrometallurgical, solution-based, and vapor deposition methods. We highlight the current state-of-the-art in order to construct a path forward to higher quality actinide thin films and heterostructure devices.

cond-mat.mtrl-sci

Signatures of low-dimensional magnetism and short-range magnetic order in Co-based trirutiles

Features of low dimensional magnetism resulting from a square-net arrangement of Co atoms in trirutile CoTa$_2$O$_6$ is studied in the present work by means of density functional theory and is compared with the experimental results of specific heat and neutron diffraction. The small total energy differences between the ferromagnetic (FM) and antiferromagnetic (AFM) configuration of CoTa$_2$O$_6$ shows that competing magnetic ground states exist, with the possibility of transition from FM to AFM phase at low temperature. Our calculation further suggests the semi-conducting behavior for CoTa$_2$O$_6$ with a band gap of $\sim$0.41 eV. The calculated magnetic anisotropy energy is $\sim$2.5 meV with its easy axis along the [100] (in-plane) direction. Studying the evolution of magnetism in Co$_{1-x}$Mg$_x$Ta$_2$O$_6$ (x = 0, 0.1, 0.3, 0.5, 0.7 and 1). it is found that the sharp AFM transition exhibited by CoTa$_2$O$_6$ at $T_N$ = 6.2 K in its heat capacity vanishes with Mg-dilution, indicating the obvious effect of weakening the superexchange pathways of Co. The current specific heat study reveals the robust nature of $T_N$ for CoTa$_2$O$_6$ in applied magnetic fields. Clear indication of short-range magnetism is obtained from the magnetic entropy, however, diffuse components are absent in neutron diffraction data. At $T_N$, CoTa$_2$O$_6$ enters a long-range ordered magnetic state which can be described using a propagation vector, (1/4, 1/4, 0). Upon Mg-dilution at $x \geq$0.1, the long-range ordered magnetism is destroyed. The present results should motivate an investigation of magnetic excitations in this low-dimensional anisotropic magnet.

cond-mat.str-el

Pressure effects on the electronic structure and superconductivity of (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ high entropy alloy

Effects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ are studied in the pressure range 0 - 100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen parameter at ambient conditions. In addition, the Debye temperature and Sommerfeld electronic heat capacity coefficient were experimentally determined. The electron-phonon coupling parameter $λ$ is calculated using the McMillan-Hopfield parameters and computed within the rigid muffin tin approximation. We find, that the system undergoes the Lifshitz transition, as one of the bands crosses the Fermi level at elevated pressures. The electron-phonon coupling parameter $λ$ decreases above 10 GPa. The calculated superconducting $T_c$ increases up to 40 - 50 GPa and, later, is stabilized at the larger value than for the ambient conditions, in agreement with the experimental findings. Our results show that the experimentally observed evolution of $T_c$ with pressure in (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ can be well explained by the classical electron-phonon mechanism.

cond-mat.supr-con

The grain-size effect on thermal conductivity of uranium dioxide

We have investigated the grain boundary scattering effect on the thermal transport behavior of uranium dioxide (UO$_2$). The polycrystalline samples having different grain-sizes (0.125, 1.8, and 7.2 $μ$m) have been prepared by spark plasma sintering technique and characterized by x-ray powder diffraction (XRD), scanning electron microscope (SEM), and Raman spectroscopy. The thermal transport properties (the thermal conductivity and thermoelectric power) have been measured in the temperature range 2-300~K and the results were analyzed in terms of various physical parameters contributing to the thermal conductivity in these materials in relation to grain-size. We show that thermal conductivity decreases systematically with lowering grain-size in the temperatures below 30 K, where the boundary scattering dominates the thermal transport. At higher temperatures more scattering processes are involved in the heat transport in these materials, making the analysis difficult. We determined the grain boundary Kapitza resistance that would result in the observed increase in thermal conductivity with grain size, and compared the value with Kapitza resistances calculated for UO$_2$ using molecular dynamics from the literature.

cond-mat.mtrl-sci

Antiferromagnetism and the emergence of frustration in saw-tooth lattice chalcogenide olivines Mn$_2$SiS$_{4-x}$Se$_x$ ($x$ = 0 $\textendash$ 4)

The magnetism in the saw-tooth lattice of Mn in the olivine chalcogenides, Mn$_2$SiS$_{4-x}$Se$_x$ ($x$ = 1$\textendash$4) is studied in detail by analyzing their magnetization, specific heat and thermal conductivity properties and complemented with density functional theory calculations. The air-stable chalcogenides are antiferromagnets and show a linear trend in the transition temperature, $T_N$ as a function of Se-content ($x$) which shows a decrease from $T_N \approx$ 86~K for {\mss} to 66~K for {\msse}. Additional new magnetic anomalies are revealed at low temperatures for all the compositions. Magnetization irreversibilities are also observed as a function of $x$. The specific heat and the magnetic entropy indicate the presence of short-range spin fluctuations in Mn$_2$SiS$_{4-x}$Se$_x$. A spin-flop antiferromagnetic phase transition in the presence of applied magnetic field is present in Mn$_2$SiS$_{4-x}$Se$_x$, where the critical field for the spin flop increases from $x$ = 0 towards 4 in a non-linear fashion. Density functional theory calculations show that an overall antiferromagnetic structure with ferromagnetic coupling of the spins in the $ab$-plane minimizes the total energy. The band structures calculated for \mss\ and \msse\ reveal features near the band edges similar to those reported for Fe-based olivines suggested as thermoelectrics; however the experimentally determined thermal transport data do not support superior thermoelectric features. The transition from long-range magnetic order in \mss\ to short-range order and spin fluctuations in \msse\ is explained using the variation of the Mn-Mn distances in the triangle units that constitutes the saw-tooth lattice upon progressive replacement of sulphur with selenium.

cond-mat.str-el

Measurement of Two Low-Temperature Energy Gaps in the Electronic Structure of Antiferromagnetic USb2 Using Ultrafast Optical Spectroscopy

Ultrafast optical spectroscopy is used to study the antiferromagnetic f-electron system USb2. We observe the opening of two charge gaps at low temperatures (<45 K), arising from renormalization of the electronic structure. Analysis of our data indicates that one gap is due to hybridization between localized f-electron and conduction electron bands, while band renormalization involving magnons leads to the emergence of the second gap. These experiments thus enable us to shed light on the complex electronic structure emerging at the Fermi surface in f-electron systems.

cond-mat.str-el

On the magnetic and electronic properties of NpPdSn

We have studied NpPdSn by means of the heat capacity, electrical resistivity, Seebeck and Hall effect, $^{237}$Np Mössbauer spectroscopy, and neutron diffraction measurements in the temperature range 2-300 K and under magnetic fields up to 14 T. NpPdSn orders antiferromagnetically below the Néel temperature $T_N$ = 19 K and shows localized magnetism of Np$^{3+}$ ion with a a doubly degenerate ground state. In the magnetic state the electrical resistivity and heat capacity are characterized by electron-magnon scattering with spin-waves spectrum typical of anisotropic antiferromagnets. An enhanced Sommerfeld coefficient and typical behavior of magnetorestistivity, Seebeck and Hall coefficients are all characteristic of systems with strong electronic correlations. The low temperature antiferromagnetic state of NpPdSn is verified by neutron diffraction and $^{237}$Np Mössbauer spectroscopy and possible magnetic structures are discussed.

cond-mat.str-el

Combination of thermal and electric properties measurement techniques in a single setup suitable for radioactive materials in controlled environments and based on the 3-omega approach

We have designed and developed a new experimental setup, based on the 3-omega method, to measure thermal conductivity, heat capacity and electrical resistivity of a variety of samples in a broad temperature range (2-550 K) and under magnetic fields up to 9 T. The validity of this method is tested by measuring various types of metallic (copper, platinum, and constantan) and insulating (SiO_2) materials, which have a wide range of thermal conductivity values (1-400 Wm-1K-1). We have successfully employed this technique for measuring the thermal conductivity of two actinide single crystals, uranium dioxide, and uranium nitride. This new experimental approach for studying nuclear materials will help to advance reactor fuel development and understanding. We have also shown that this experimental setup can be adapted to the Physical Property Measurement System (Quantum Design) environment and/or other cryocooler systems.

physics.ins-det

Thermoelectric power as a probe of density of states in correlated actinide materials: the case of PuCoGa$_{5}$ superconductor

We present measurements of the thermoelectric power of the plutonium-based unconventional superconductor PuCoGa$_{5}$. The data is interpreted within a phenomenological model for the quasiparticle density of states of intermediate valence systems and the results are compared with results obtained from photoemission spectroscopy. The results are consistent with intermediate valence nature of 5$f$-electrons, furthermore, we propose that measurements of the Seebeck coefficient can be used as a probe of density of states in this material, thereby providing a link between transport measurements and photoemission in strongly correlated materials. We discuss these results and their implications for the electronic structure determination of other strongly correlated systems, especially actinide materials.

cond-mat.str-el

Quantum Critical Fluctuations in the Heavy fermion compound Ce(Ni$_{0.935}$Pd$_{0.065}$)$_2$Ge$_2$

Electric resistivity, specific heat, magnetic susceptibility, and inelastic neutron scattering experiments were performed on a single crystal of the heavy fermion compound Ce(Ni$_{0.935}$Pd$_{0.065}$)$_2$Ge$_2$ in order to study the spin fluctuations near an antiferromagnetic (AF) quantum critical point (QCP). The resistivity and the specific heat coefficient for $T \leq$ 1 K exhibit the power law behavior expected for a 3D itinerant AF QCP ($ρ(T) \sim T^{3/2}$ and $γ(T) \sim γ_0 - b T^{1/2}$). However, for 2 $\leq T \leq$ 10 K, the susceptibility and specific heat vary as $log T$ and the resistivity varies linearly with temperature. Furthermore, despite the fact that the resistivity and specific heat exhibit the non-Fermi liquid behavior expected at a QCP, the correlation length, correlation time, and staggered susceptibility of the spin fluctuations remain finite at low temperature. We suggest that these deviations from the divergent behavior expected for a QCP may result from alloy disorder.

cond-mat.str-el

Short-range magnetic correlations in the highly-correlated electron compound CeCu$_{4}Ga

We present experimental results for the heavy-electron compound CeCu$_{4}$Ga which show that it possesses short-range magnetic correlations down to a temperature of $T = 0.1$ K. Our neutron scattering data show no evidence of long-range magnetic order occurring despite a peak in the specific heat at $T^{*} =1.2$ K. Rather, magnetic diffuse scattering occurs which corresponds to short-range magnetic correlations occurring across two unit cells. The specific heat remains large as $T\sim0$ K resulting in a Sommerfeld coefficient of $γ_{0} = 1.44(2)$ J/mol-K$^{2}$, and, below $T^{*}$, the resistivity follows $T^{2}$ behavior and the ac magnetic susceptibility becomes temperature independent. A magnetic peak centered at an energy transfer of $E_{\rm{c}}=0.24(1)$ meV is seen in inelastic neutron scattering data which shifts to higher energies and broadens under a magnetic field. We discuss the coexistence of large specific heat, magnetic fluctuations, and short-range magnetic correlations at low temperatures and compare our results to those for materials possessing spin-liquid behavior.

cond-mat.str-el

Fermi-Surface Reconstruction and Complex Phase Equilibria in CaFe$_{2}$As$_{2}$

Fermi-surface topology governs the relationship between magnetism and superconductivity in iron-based materials. Using low-temperature transport, angle-resolved photoemission, and x-ray diffraction we show unambiguous evidence of large Fermi surface reconstruction in CaFe$_{2}$As$_{2}$ at magnetic spin-density-wave and nonmagnetic collapsed-tetragonal ($cT$) transitions. For the $cT$ transition, the change in the Fermi surface topology has a different character with no contribution from the hole part of the Fermi surface. In addition, the results suggest that the pressure effect in CaFe$_{2}$As$_{2}$ is mainly leading to a rigid-band-like change of the valence electronic structure. We discuss these results and their implications for magnetism and superconductivity in this material.

cond-mat.str-el

CeIrIn5: Superconductivity on a Magnetic Instability

We report the doping-induced antiferromagnetic state and Fermi liquid state that are connected by a superconducting region in a series of CeIrIn$_{5-x}$Hg$_x$, CeIrIn$_{5-x}$Sn$_x$ and CeIr$_{1-x}$Pt$_x$In$_5$ single crystals. Measurements of the specific heat $C(T)$ and electrical resistivity $ρ(T)$ demonstrate that hole doping via Hg/In substitution gives rise to an antiferromagnetic ground state, but substitutions of In by Sn or Ir by Pt (electron doping) favor a paramagnetic Fermi liquid state. A cone-like non-Fermi liquid region is observed near CeIrIn$_5$, showing a diverging effective mass on the slightly Hg-doped side. The obtained temperature-doping phase diagram suggests that CeIrIn$_5$ is in proximity to an antiferromagnetic quantum critical point, and heavy fermion superconductivity in this compound is mediated by magnetic quantum fluctuations rather than by valence fluctuations.

cond-mat.str-el

Magnetic properties of ferromagnetic Pu2Pt3Si5

The structural, magnetic, and thermodynamic properties of a new plutonium based compound, Pu2Pt3Si5, are reported. Single crystals produced by a Sn-flux technique have been analyzed showing a ferromagnetic behavior at 58 K. Pu2Pt3Si5 crystallizes in the U2Co3Si5-type orthorhombic Iabm structure (72) with atomic parameters a = 9.9226(2) Å, b = 11.4436(2) Åand c = 6.0148(1) Å. The effective (μ_eff ~0.74 μ_B) and saturated (μ_sat ~0.32 B/Pu) moments as well as the Sommerfeld coefficient (γ_e ~2 mJ.mol-1.K-2/Pu) could point towards 5f localization in this material.

cond-mat.mtrl-sci

Intrinsic superconducting properties and vortex dynamics in heavily overdoped Ba(Fe$_{0.86}$Co$_{0.14}$)$_2$As$_2$ single crystal

In this work we report the influence of intrinsic superconducting parameters on the vortex dynamics in an overdoped Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ (x=0.14) single crystal. We find a superconducting critical temperature of 13.5 K, magnetic penetration depth $λ_{ab}$(0) = 660 $\pm$ 50 nm, coherence length $ξ_{ab}$(0) = 5 nm, and the upper critical field anisotropy $γ_{T\rightarrow Tc}$ $\approx$ 3.7. In fact, the Ginzburg-Landau model may explain the angular dependent $H_{c2}$ for this anisotropic three-dimensional superconductor. The vortex phase diagram, in comparison with the optimally doped compound, presents a narrow collective creep regime. In addition, we found no sign of correlated pinning along the c axis. Our results show that vortex core to defect size ratio and $λ$ play an important role in the resulting vortex dynamics in materials with similar intrinsic thermal fluctuations.

cond-mat.supr-con

Electronic tuning and uniform superconductivity in CeCoIn5

We report a globally reversible effect of electronic tuning on the magnetic phase diagram in CeCoIn_{5} driven by electron (Pt and Sn) and hole (Cd, Hg) doping. Consequently, we are able to extract the superconducting pair breaking component for hole and electron dopants with pressure and co-doping studies, respectively. We find that these nominally non-magnetic dopants have a remarkably weak pair breaking effect for a d-wave superconductor. The pair breaking is weaker for hole dopants, which induce magnetic moments, than for electron dopants. Furthermore, both Pt and Sn doping have a similar effect on superconductivity despite being on different dopant sites, arguing against the notion that superconductivity lives predominantly in the CeIn_{3} planes of these materials. In addition, we shed qualitative understanding on the doping dependence with density functional theory calculations.

cond-mat.supr-con