arXiv subjects

T. Klimczuk

Publications and source records attributed to T. Klimczuk.

At least 19 recordsLinked to original sources

arXiv2025

Uncovering surface states of the Dirac semimetal BaMg2Bi2

BaMg2Bi2 is a Dirac semimetal characterized by a simple Dirac cone crossing the Fermi level at the center of the Brillouin zone, protected by C3 rotational symmetry. Together with its Sr-based analogue SrMg2Bi2, it has been proposed as a promising candidate for a chemically driven topological switch: while SrMg2Bi2 is an insulator, BaMg2Bi2 exhibits non-trivial topological features. A detailed understanding of its electronic structure is essential to elucidate its electronic and transport properties. Previous photoemission studies confirmed the Dirac nature of BaMg2Bi2, but were limited to high photon energies, which hindered direct comparison with density functional theory calculations (DFT), due to reduced resolution and higher-frequency matrix-element modulation in that regime. In this work, we combine high-resolution angle-resolved photoemission spectroscopy (ARPES) and DFT calculations to get full insight on the valence band states, providing a comprehensive picture of the low-energy electronic structure. Our measurements reveal the presence of previously unobserved surface states. We found that they are topologically trivial, but they unlock a more comprehensive understanding of the material's behavior, reconciling previous discrepancies between experiment and theory.

cond-mat.str-el↗

arXiv2025

Single-gap two-band superconductivity well above the Pauli limit in non-centrosymmetric TaIr$_2$B$_2$

Non-centrosymmetric superconducting materials represent an exciting class of novel superconductors featuring a variety of unconventional properties, including mixed-parity pairing and very high upper critical fields. Here, we present a comprehensive study of TaIr$_2$B$_2$ (with $T_c$ = 5.1 K), using a set of complementary experimental methods, including bulk- and surface-sensitive techniques. We provide evidence that this system is a two-band, yet it behaves as a single-gap superconductor with a strong coupling. The upper critical field of TaIr$_2$B$_2$ significantly exceeds the Pauli limit and exhibits a nearly linear temperature dependence down to the lowest temperatures. This behavior, rarely seen in superconductors, is discussed in terms of anti-symmetric spin-orbit interaction, two-band-, and strong-coupling effects, as well as disorder.

cond-mat.supr-con↗

arXiv2022

Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe

The B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and $^{59}$Co nuclear magnetic resonance (NMR). We observed a phase transition at $T_Q=13.7$ K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin ($T_2^{-1}$) and spin-lattice ($T_1^{-1}$) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent of temperature down to low temperatures as anticipated in a paramagnetic metal indicates that the $T_Q$ transition is of non-magnetic origin. In addition, we detected a crossover scale $T_0\sim30$ K below which the resistivity and the NMR linewidth increase, and $T_1^{-1}$ is progressively distributed in space, that is, a static and dynamical spatial inhomogeneity develops. While the order parameter for the $T_Q$ transition remains an open question, a group-theoretical analysis suggests that the finite electric quadrupole density arising from the low local site symmetry at cobalt sites could drive the crystal symmetry lowering from the P2$_1$3 symmetry that is commensurate to the R3 symmetry with an incommensurate wavevector, which fairly well accounts for the $T_Q$ transition. The quadrupole-order-driven commensurate-incommensurate phase transition may be another remarkable phenomenon arising from the structural chirality inherent in the noncentrosymmetric B20 family.

cond-mat.str-el↗

arXiv2019

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↗

arXiv2016

Synthesis and properties of A$_x$V$_2$Al$_{20}$ (A = Th, U, Np, Pu) ternary actinide aluminides

Polycrystalline samples of A$_x$V$_2$Al$_{20}$ (A = Ce, Th, U, Np, Pu; 0.7 =< x =< 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and the Rietveld refinement method. All studied compounds crystallize in the CeCr$_{2}$Al$_{20}$-type structure (space group Fd-3m, no. 227) with the actinide or Ce atom located in the oversized cage formed by Al atoms. Comparison of the crystallographic results with the reported data for LnV$_{2}$Al$_{20}$ (Ln = lanthanoids) counterparts reveals distinctly different behavior of the lanthanide- and actinide-bearing compounds. This difference is suggested to be caused by fairly localized character of the 4f electrons, whereas itinerant character of the 5f electrons is likely seen for U- and Np-containing phases. Magnetic susceptibility and specific heat measurements did not reveal any magnetic ordering in U$_{0.8}$V$_{2}$Al$_{20}$, Np$_{0.8}$V$_{2}$Al$_{20}$ and Pu$_{0.8}$V$_{2}$Al$_{20}$ down to 2.5 K. A small anomaly in low-temperature specific heat of Ce$_{0.8}$V$_{2}$Al$_{20}$, U$_{0.8}$V$_{2}$Al$_{20}$, and Np$_{0.8}$V$_{2}$Al$_{20}$ is observed, likely arising from a low-energy Einstein mode.

cond-mat.mtrl-sci↗

arXiv2015

Superconductivity in the Niobium-rich compound Nb5Se4

The niobium rich selenide compound Nb5Se4 was synthesized at ambient pressure by high-temperature solid-state reaction in a sealed Ta tube. Resistivity and heat capacity measurements reveal that this compound is superconducting, with a T_c = 1.85K. The electronic contribution to the specific heat γ and the Debye temperature are found to be 18.1 mJ/mol/K^2 and 298 K respectively. The calculated electron-phonon coupling constant λ_ep = 0.5 and the ΔC_p/γTc = 1.42 ratio imply that Nb5Se4 is a weak coupling BCS superconductor. The upper critical field and coherence length are found to be 1.44 T and 15.1 nm, respectively.

cond-mat.supr-con↗

arXiv2015

Pressure effects on the superconductivity of HfPd2Al Heusler compound: Experimental and theoretical study

Polycrystalline HfPd2Al has been synthesized using the arc-melting method and studied under ambient pressure conditions by x-ray diffraction from room temperature up to 450^oC. High pressure x-ray diffraction up to 23 GPa was also performed using Diacell-type membrane diamond anvil cells. The estimated linear thermal expansion coefficient was found to be α = 1.40(3)x10^{-5} K^{-1}, and the bulk modulus derived from the fit to the 3rd order Birch-Murnaghan EOS (BMEOS) is B0 = 97(2) GPa. Resistivity studies under applied pressure (p < 7.49 GPa) showed a linear decrease of superconducting critical temperature with increasing pressure and the slope dTc/dp = -0.13(1) K GPa^{-1}. The same behavior is observed for the electron-phonon coupling constant {λ_{ep}}(p) that changes from 0.67 to 0.6, estimated for p = 0.05 GPa and 7.49 GPa, respectively. First principles electronic structure and phonon calculation results are presented and used to estimate the magnitude of electron-phonon interaction {λ_{ep}} and its evolution with pressure. Theoretical results explain the experimentally observed decrease in Tc due to considerable lattice stiffening.

cond-mat.supr-con↗

arXiv2014

Crystal structure and electronic structure of CePt2In7

We report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt-In stacking along the c-direction in this layered material than was previously reported. In addition, all the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of the material and the atomic disorder present in the previous structural model The Ce-Pt distance and coordination is typical of that seen in all other reported Ce_nM_mIn_3n+2m compounds. Our band structure calculations based on the correct structure reveal three bands at the Fermi level that are more three dimensional than those previously proposed, and Density functional theory (DFT) calculations show that the new structure has a significantly lower energy.

cond-mat.supr-con↗

arXiv2013

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↗

arXiv2012

Bulk properties and electronic structure of PuFeAsO

Here we present bulk property measurements and electronic structure calculations for PuFeAsO, an actinide analogue of the iron-based rare-earth superconductors RFeAsO. Magnetic susceptibility and heat capacity data suggest the occurrence of an antiferromagnetic transition at TN=50 K. No further anomalies have been observed down to 2 K, the minimum temperature that we have been able to achieve. Structural measurements indicate that PuFeAsO, with its more localized 5f electrons, bears a stronger resemblance to the RFeAsO compounds with larger R ions, than NpFeAsO does.

cond-mat.supr-con↗

arXiv2012

Superconductivity in the Heusler Family of Intermetallics

Several physical properties of the superconducting Heusler compounds, focusing on two systems (Y, Lu, Sc)Pd2Sn and APd2M, where A=Hf, Zr and M=Al, In, are summarized and compared. The analysis of the data shows the importance of the electron-phonon coupling for superconductivity in this family. We report the superconducting parameters of YPd2Sn, which has the highest Tc among all known Heusler superconductors.

cond-mat.supr-con↗

arXiv2012

Negative thermal expansion and antiferromagnetism in the actinide oxypnictide NpFeAsO

A neptunium analogue of the LaFeAsO tetragonal layered compound has been synthesized and characterized by a variety of experimental techniques. The occurrence of long-range magnetic order below a critical temperature T_N = 57 K is suggested by anomalies in the temperature-dependent magnetic susceptibility, electrical resistivity, Hall coefficient, and specific heat curves. Below T_N, powder neutron diffraction measurements reveal an antiferromagnetic structure of the Np sublattice, with an ordered magnetic moment of 1.70(0.07) μ_B aligned along the crystallographic c-axis. No magnetic order has been observed on the Fe sublattice, setting an upper limit of about 0.3 μ_B for the ordered magnetic moment on the iron. High resolution x-ray powder diffraction measurements exclude the occurrence of lattice transformations down to 5 K, in sharp contrast to the observation of a tetragonal-to-orthorhombic distortion in the rare-earth analogues, which has been associated with the stabilization of a spin density wave on the iron sublattice. Instead, a significant expansion of the NpFeAsO lattice parameters is observed with decreasing temperature below T_N, corresponding to a relative volume change of about 0.2% and to an invar behavior between 5 and 20 K. First-principle electronic structure calculations based on the local-spin density plus Coulomb interaction and the local density plus Hubbard-I approximations provide results in good agreement with the experimental findings.

cond-mat.supr-con↗

arXiv2011

Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru

We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence band photoemission and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb3+ is split by the crystalline electric field (CEF) into a Γ7 doublet ground state and a Γ8 quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ6 excited state resides at 32 meV; however, the Γ8/Γ6 transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch- Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K, there is a peak in specific heat that is too broad to represent a magnetic phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand, this peak also is too narrow to represent the Kondo effect in the Γ7 ground state doublet. On the basis of the field-dependence of the specific heat, we argue that antiferromagnetic shortrange order (possibly co-existing with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.

cond-mat.str-el↗

arXiv2010

Muon spin rotation/relaxation measurements of the non-centrosymmetric superconductor Mg10Ir19B16

We have searched for time-reversal symmetry breaking fields in the non-centrosymmetric superconductor Mg$_{10}$Ir$_{19}$B$_{16}$ via muon spin relaxation in zero applied field, and we measured the temperature dependence of the superfluid density by muon spin rotation in transverse field to investigate the superconducting pairing symmetry in two polycrystalline samples of signficantly different purities. In the high purity sample, we detected no time-reversal symmetry breaking fields greater than 0.05 G. The superfluid density was also found to be exponentially-flat as T$\to $0, and so can be fit to a single-gap BCS model. In contrast, the lower purity sample showed an increase in the zero-field $μ$SR relaxation rate below T$_c$ corresponding to a characteristic field strength of 0.6 G. While the temperature-dependence of the superfluid density was also found to be consistent with a single-gap BCS model, the magnitude as T$\to $0 was found to be much lower for a given applied field than in the case of the high purity sample. These findings suggest that the dominant pairing symmetry in high quality Mg$_{10}$Ir$_{19}$B$_{16}$ samples corresponds to the spin-singlet channel, while sample quality drastically affects the superconducting properties of this system.

cond-mat.supr-con↗

arXiv2009

The magnetic properties of the Garnet and glass forms of Mn3Al2Si3O12

The magnetic susceptibilities and specific heats of the crystalline garnet and glass forms of Mn3Al2Si3O12 are reported. This allows a direct comparison of the degree of magnetic frustration of the triangle-based garnet lattice and the structurally disordered solid at the same composition for isotropic spin 5/2 Mn^2+ (3d^5). The results show that the glass phase shows more pronounced signs of magnetic frustration than the crystalline phase. Through comparison of the specific heats of Ca3Al2Si3O12 (grossular) and Mn3Al2Si3O12 (spessartine) garnets, information is provided concerning the anomalous extra specific heat in the latter material.

cond-mat.mtrl-sci↗

arXiv2009

Hybridization-driven gap in U3Bi4Ni3: a 209Bi NMR/NQR study

We report 209Bi NMR and NQR measurements on a single crystal of the Kondo insulator U3Bi4Ni3. The 209Bi nuclear spin-lattice relaxation rate ($T_1^{-1}$) shows activated behavior and is well-fit by a spin gap of 220 K. The 209Bi Knight shift (K) exhibits a strong temperature dependence arising from 5f electrons, in which K is negative at high temperatures and increases as the temperature is lowered. Below 50 K, K shows a broad maximum and decreases slightly upon further cooling. Our data provide insight into the evolution of the hyperfine fields in a fully gapped Kondo insulator based on 5f electron hybridization.

cond-mat.str-el↗

arXiv2009

Stoichiometry, Spin Fluctuations, and Superconductivity in LaNiPO

Superconductivity in LaNiPO is disrupted by small (~5%) amounts of non-stoichiometry on the lanthanum site, even though the electronic contribution to the heat capacity increases with increasing non-stoichiometry. All samples also exhibit specific heat anomalies consistent with the presence of ferromagnetic spin fluctuations (Tsf ~ 14 K). Comparison of layered nickel phosphide and nickel borocarbide superconductors reveals different structure-property correlations in the two families.

cond-mat.supr-con↗

arXiv2009

Ni$_2$X$_2$ (X=pnictide, chalcogenide, or B) Based Superconductors

We review the properties of Ni-based superconductors which contain Ni2X2 (X=As, P, Bi, Si, Ge, B) planes, a common structural element found also in the recently discovered FeAs superconductors. Strong evidence for the fully gapped nature of the superconducting state has come from field dependent thermal conductivity results on BaNi2As2. Coupled with the lack of magnetism, the majority of evidence suggests that the Ni-based compounds are conventional electron-phonon mediated superconductors. However, the increase in Tc in LaNiAsO with doping is anomalous, and mimics the behavior in LaFeAsO. Furthermore, comparisons of the properties of Ni- and Fe-based systems show many similarities, particularly with regards to structure-property relationships. This suggests a deeper connection between the physics of the FeAs superconductors and the related Ni-based systems which deserves further investigation.

cond-mat.supr-con↗