arXiv subjects

Paul C. Canfield

Publications and source records attributed to Paul C. Canfield.

At least 55 records · Page 3Linked to original sources

arXiv2024

Band structure and charge ordering of Dirac semimetal EuAl$_4$ at low temperatures

EuAl$_4$ is proposed to host a topological Hall state. This material also undergoes four consecutive antiferromagnetic (AFM) transitions upon cooling below TN1 = 15.4 K in the presence of charge density wave (CDW) order that sets in below TCDW = 140 K. We use angle-resolved photoemission spectroscopy and density-functional-theory calculations to study how magnetic ordering affects the electronic properties in EuAl$_4$. We found changes in the band structure upon each of the four consecutive AFM transitions including band splitting, renormalizations, and appearance of new bands forming additional Fermi sheets. In addition we also found significant enhancement of the quasiparticles' lifetime due to suppression of spin flip scattering, similar to what was previously reported for ferromagnetic EuCd$_2$As$_2$. Surprisingly, we observe that most significant changes in electronic properties occur not at TN1, but instead at the AFM3 to AFM4 transition, which coincides with the largest drop in resistivity.

cond-mat.str-el↗

arXiv2024

Unexpected changes in the band structure within AFM1 state of CeBi

We perform angle-resolved photoemission spectroscopy (ARPES) measurements in conjunction with density functional theory (DFT) calculations to investigate the evolution of the electronic structure of CeBi upon a series of antiferromagnetic (AFM) transitions. We find evidence for a new AFM transition in addition to two previously known from transport studies. We demonstrate the development of an additional Dirac state in the (+-+-) ordered phase and a transformation of unconventional surface-state pairs in the (++--) ordered phase. This revises the phase diagram of this intriguing material, where there are now three distinct AFM states below TN in zero magnetic field instead of two as it was previously thought.

cond-mat.str-el↗

arXiv2024

Insulator to Metal Transition under High Pressure in FeNb$_3$Se$_{10}$

Non-magnetic FeNb$_3$Se$_{10}$ has been demonstrated to be an insulator at ambient pressure through both theoretical calculations and experimental measurements and it does not host topological surface states. Here we show that on the application of pressure, FeNb$_3$Se$_{10}$ transitions to a metallic state at around 3.0 GPa. With a further increase in pressure, its resistivity becomes independent of both temperature and pressure. Its crystal structure is maintained to at least 4.4 GPa.

cond-mat.str-el↗

arXiv2024

Competition between the modification of intrinsic superconducting properties and the pinning landscape under external pressure in CaKFe$_4$As$_4$ single crystals

Measurements of low field magnetization, trapped flux magnetization and 5 K flux creep in single crystal of CaKFe$_4$As$_4$ under pressure up to 7.5 GPa in a diamond pressure cell are presented. The observed evolution of the temperature dependence of the self-field critical current and slowing down of the base temperature flux creep rate are explained within the two sources of pinning hypothesis involving presence of CaKFe$_4$As$_4$ intergrowths suggested in the literature. Above the half collapsed tetragonal structural transition under pressure, where superconductivity is non-bulk or absent, critically diminished or no diamagnetism and flux trapped magnetization were observed.

cond-mat.supr-con↗

arXiv2024

HTESP (High-throughput electronic structure package): a Package for the high-throughput $ab$ $initio$ calculations

High-throughput $ab$ $initio$ calculations are the indispensable parts of data-driven discovery of new materials with desirable properties, as reflected in the establishment of several online material databases. The accumulation of extensive theoretical data through computations enables data-driven discovery by constructing machine learning and artificial intelligence models to predict novel compounds and forecast their properties. Efficient usage and extraction of data from these existing online material databases can accelerate the next stage materials discovery that targets different and more advanced properties, such as electron-phonon coupling for phonon-mediated superconductivity. However, extracting data from these databases, generating tailored input files for different $ab$ $initio$ calculations, performing such calculations, and analyzing new results can be demanding tasks. Here, we introduce a software package named "HTESP" (High-Throughput Electronic Structure Package) written in Python and Bash languages, which automates the entire workflow including data extraction, input file generation, calculation submission, result collection and plotting. Our HTESP will help speed up future computational materials discovery processes.

physics.comp-ph↗

arXiv2024

Inhomogeneous magnetic ordered state and evolution of magnetic fluctuations in Sr(Co1-xNix)2P2 revealed by 31P NMR

SrCo$_2$P$_2$ with a tetragonal structure is known to be a Stoner-enhanced Pauli paramagnetic metal being nearly ferromagnetic. Recently Schmidt et al. [Phys. Rev. B 108, 174415 (2023)] reported that a ferromagnetic ordered state is actually induced by a small Ni substitution for Co of $x$ = 0.02 in Sr(Co$_{1-x}$Ni$_x$)$_2$P$_2$ where antiferromagnetic ordered phase also appears by further Ni-substitution with $x = 0.06-0.35$. Here, using nuclear magnetic resonance (NMR) measurements on $^{31}$P nuclei, we have investigated how the magnetic properties change by the Ni substitution in Sr(Co$_{1-x}$Ni$_x$)$_2$P$_2$ from a microscopic point of view, especially focusing on the evolution of magnetic fluctuations with the Ni substitution and the characterization of the magnetically ordered states. The temperature dependences of $^{31}$P spin-lattice relaxation rate divided by temperature ($1/T_1T$) and Knight shift ($K$) for SrCo$_2$P$_2$ are reasonably explained by a model where a double-peak structure for the density of states near the Fermi energy is assumed. Based on a Korringa ratio analysis using the $T_1$ and $K$ data, ferromagnetic spin fluctuations are found to dominate in the ferromagnetic Sr(Co$_{1-x}$Ni$_x$)$_2$P$_2$ as well as the antiferromagnets where no clear antiferromagnetic fluctuations are observed. We also found the distribution of the ordered Co moments in the magnetically ordered states from the analysis of the $^{31}$P NMR spectra exhibiting a characteristic rectangular-like shape.

cond-mat.str-el↗

arXiv2024

Single-gap Isotropic $s-$wave Superconductivity in Single Crystals $\text{AuSn}_4$

London, $λ_L (T)$, and Campbell, $λ_{C} (T)$, penetration depths were measured in single crystals of a topological superconductor candidate $\text{AuSn}_4$. At low temperatures, $λ_L (T)$ is exponentially attenuated and, if fitted with the power law, $λ(T) \sim T^n$, gives exponents $n>4$, indistinguishable from the isotropic single $s-$wave gap Bardeen-Cooper-Schrieffer (BCS) asymptotic. The superfluid density fits perfectly in the entire temperature range to the BCS theory. The superconducting transition temperature, $T_c = 2.40 \pm 0.05\:\text{K}$, does not change after 2.5 MeV electron irradiation, indicating the validity of the Anderson theorem for isotropic $s-$wave superconductors. Campbell penetration depth before and after electron irradiation shows no hysteresis between the zero-field cooling (ZFC) and field cooling (FC) protocols, consistent with the parabolic pinning potential. Interestingly, the critical current density estimated from the original Campbell theory decreases after irradiation, implying that a more sophisticated theory involving collective effects is needed to describe vortex pinning in this system. In general, our thermodynamic measurements strongly suggest that the bulk response of the $\text{AuSn}_4$ crystals is fully consistent with the isotropic $s-$wave weak-coupling BCS superconductivity.

cond-mat.supr-con↗

arXiv2024

Anisotropic Paramagnetic Peak Effect in Reversible Magnetization of Crystalline Miassite Superconductor $\text{Rh}_{17}\text{S}_{15}$

We report an unusual anisotropic paramagnetic peak effect observed in reversible magnetization of a single crystalline nodal superconductor $\text{Rh}_{17}\text{S}_{15}$. Both temperature- and field-dependent magnetization measurements reveal a distinct novel vortex state above approximately 1 T. This peak effect is most pronounced when the magnetic field, $H$, is applied parallel to the $\left[111\right]$ direction, whereas it diminishes for $H\parallel\left[110\right]$. Intriguingly, for $H\parallel\left[100\right]$, instead of a peak, we observe a step-like decrease in $M(T)$, with the step amplitude increasing in larger applied magnetic fields. This behavior is opposite to the expectations of conventional Meissner expulsion. The magnitude of the peak effect, expressed in terms of dimensionless volume susceptibility, is on the order of $Δχ=10^{-5}$ (with full diamagnetic screening corresponding to $χ=-1$). The observed anisotropic paramagnetic vortex response is unusual considering the cubic symmetry of $\text{Rh}_{17}\text{S}_{15}$. We propose that in this distinct vortex phase, a small but finite attractive interaction between vortices below $H_{c2}$ may be responsible for this unusual phenomenon. Furthermore, the vortices seem to prefer aligning along the $\left[111\right]$ direction, rotating toward it when the magnetic field is applied in other directions. Our findings add another item to the list of unusual properties of $\text{Rh}_{17}\text{S}_{15}$ that attracted recent attention as the first unconventional superconductor that has a mineral analog, miassite, found in nature.

cond-mat.supr-con↗

arXiv2024

Effect of Ni substitution on the fragile magnetic system ${\text{La}_{5}\text{Co}_{2}\text {Ge}_{3}}$

$\text{La}_{5}\text{Co}_{2}\text{Ge}_{3}$ is an itinerant ferromagnet with a Curie temperature, $T_C$, of $\sim$ 3.8 K and a remarkably small saturated moment of 0.1 $μ_{B}/\text{Co}$. Here we present the growth and characterization of single crystals of the ${\text{La}_{5}\text{(Co}_{1-x}\text {Ni}_{x})_2\text {Ge}_{3}}$ series for 0.00 $\leq x \leq$ 0.186. We measured powder X-ray diffraction, composition as well as anisotropic temperature dependent resistivity, temperature and field dependent magnetization along with heat capacity on these single crystals. We also measured muon-spin rotation/relaxation ($μ\text{SR}$) for some Ni substitutions ($x$ = 0.027, 0.036, 0.074) to study the evolution of internal field with Ni substitution. Using the measured data we infer a low temperature, transition temperature-composition phase diagram for ${\text{La}_{5}\text{(Co}_{1-x}\text {Ni}_{x})_2\text {Ge}_{3}}$. We find that $T_{C}$ is suppressed for low dopings, $x \leq 0.014 $; whereas for $0.036 \leq {x} \leq 0.186 $, the samples are antiferromagnetic with a Neel temperature, $T_{N}$, that goes through a weak and shallow maximum ($T_N \sim$ 3.4 K for $ x \sim$ 0.07) and then gradually decreases to 2.4 K by $x$ = 0.186. For intermediate Ni substitutions, $0.016 \leq {x} \leq 0.027 $, two transition temperatures are inferred with $T_N > T_C$. Whereas the $T-x$ phase diagram for ${\text{La}_{5}\text{(Co}_{1-x}\text {Ni}_{x})_2\text {Ge}_{3}}$ and the $T-p$ phase diagram determined for the parent $\text{La}_{5}\text{Co}_{2}\text{Ge}_{3}$ under hydrostatic pressure are grossly similar, changing from a low doping or low pressure ferromagnetic (FM) ground state to a high doped or pressure antiferromagnetic (AFM) state, perturbation by Ni substitution enabled us to identify an intermediate doping regime where both FM and AFM transitions occur.

cond-mat.str-el↗

arXiv2024

Tension-compression asymmetry in superelasticity of SrNi2P2 single crystals and the influence of low temperatures

ThCr2Si2-type intermetallic compounds are known to exhibit superelasticity associated with structural transitions through lattice collapse and expansion. These transitions occur via the formation and breaking of Si-type bonds, respectively, under uniaxial loading along the [0 0 1] direction. Unlike most ThCr2Si2-type intermetallic compounds, which have either an uncollapsed tetragonal structure or a collapsed tetragonal structure, SrNi2P2 possesses a third type of collapsed structured: a one-third orthorhombic structure, for which one expects the occurrence of unique structural transitions and superelastic behavior. In this study, uniaxial compression and tension tests were conducted on micron-sized SrNi2P2 single crystalline columns at room temperature, 200K, and 100K, to investigate the influence of loading direction and temperature on the superelasticity of SrNi2P2. Experimental data and density functional theory calculations revealed the presence of tension-compression asymmetry in the structural transitions and superelasticity, as well as an asymmetry in their temperature dependence, due to the opposite superelastic process associated with compression (forming P-P bonds) and tension (breaking P-P bonds). Additionally, following thermodynamics, the observations suggest that this asymmetric superelasticity could lead to an opposite elastocaloric effect between compression and tension, which could be beneficial potentially in obtaining large temperature changes compared to conventional superelastic solids that show the same elastocaloric effect regardless of loading direction. These results provide an important fundamental insight into the structural transitions, superelasticity processes, and potential elastocaloric effects in SrNi2P2.

cond-mat.mtrl-sci↗

arXiv2024

Trapped flux in a small crystal of CaKFe$_4$As$_4$ at ambient pressure and in a diamond anvil pressure cell

In an extension of our previous work, [Sergey L Bud'ko et al 2023 Supercond. Sci. Technol. 36 115001] the measurements of temperature dependent magnetization associated with trapped magnetic flux in a small single crystal of CaKFe$_4$As$_4$, using zero-field-cooled and field-cooled protocols were performed, on the same crystal, at ambient pressure without a pressure cell and at 2.2 GPa in a commercial diamond anvil cell (DAC), showing comparable results. The data show that with a proper care and understanding, trapped flux measurements in superconductors indeed can be performed on samples in DACs under pressure, as was done on superhydrides [V S Minkov et al 2023 Nat. Phys. 19 1293].

cond-mat.supr-con↗

arXiv2024

Origin of Charge Density Wave in Topological Semimetals SrAl4 and EuAl4

Topological semimetals in BaAl4-type structure show many interesting behaviors, such as charge density wave (CDW) in SrAl4 and EuAl4, but not the isostructural and isovalent BaAl4, SrGa4 and BaGa4. Here using Wannier functions based on density functional theory, we calculate the susceptibility functions with millions of k-points to reach the small q-vector and study the origin and driving force behind the CDW. Our comparative study reveals that the origin of the CDW in SrAl4 and EuAl4 is the strong electron-phonon coupling interaction for the transverse acoustic mode at small q-vector along the \{Gamma}-Z direction besides the maximum of the real part of the susceptibility function from the nested Fermi surfaces of the Dirac-like bands, which explains well the absence of CDW in the other closely related compounds in a good agreement with experiment. We also connect the different CDW behaviors in the Al compounds to the macroscopic elastic properties.

cond-mat.mtrl-sci↗

arXiv2024

Band Structure and Fermi Surface Nesting in $LaSb_2$

We use high-resolution angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb$_2$. This compound is among an interesting group of materials that manifests both a CDW transition and lower temperature superconductivity. We find the DFT calculations to be in good agreement with our ARPES data. The Fermi surface of LaSb$_2$ consists of two small hole pockets close to $Γ$ and four larger pockets near the Brillouin zone (BZ) boundary. The overall features of the Fermi surface do not vary with temperature. A saddle point is present at -0.19 $eV$ below the Fermi level at $Γ$. Critical points in band structure have more pronounced effects on a materials properties when they are located closer to the Fermi level, making doped LaSb$_2$ compounds a potential interesting subject of future research. Multiple peaks are present in the generalized, electronic susceptibility calculations indicating the presence of possible nesting vectors. We were not able to detect any signatures of the CDW transition at 355 K, pointing to the subtle nature of this transition. This is unusual, given that such a high transition temperature is expected to be associated with the presence of a large CDW gap. This is confirmed through investigation of the Fermi surface and through analysis of momentum distribution curves (MDC). It is possible that changes are subtle and occur below current sensitivity of our measurements.

cond-mat.str-el↗

arXiv2024

La$_4$Co$_4$X (X = Pb, Bi, Sb): a demonstration of antagonistic pairs as a route to quasi-low dimensional ternary compounds

We outline how pairs of strongly immiscible elements, referred to here as antagonistic pairs, can be used to synthesize ternary compounds with quasi-reduced dimensional motifs. By identifying third elements that are compatible with a given antagonistic pair, ternary compounds can be formed in which the third element segregates the immiscible atoms into spatially separated substructures. Quasi-low dimensional structural units are a natural consequence of the immiscible atoms seeking to avoid contact in the solid-state. As proof of principle, we present the discovery and physical properties of La$_4$Co$_4$X (X = Pb, Bi, Sb), a new family of intermetallics based on the antagonistic pairs Co-Pb and Co-Bi. La$_4$Co$_4$X adopts a new orthorhombic crystal structure (space group Pbam) containing quasi-2D Co slabs and La-X layers that stack along the a-axis. Consistent with our proposal, the La atoms separate the Co and X substructures, ensuring there are no direct contacts between immiscible atoms. Within the Co slabs, the atoms occupy the vertices of corner sharing tetrahedra and triangles, and this motif produces flat electronic bands near the Fermi level that favor magnetism. The Co is moment bearing in La$_4$Co$_4$X, and we show that whereas La$_4$Co$_4$Pb behaves as a three dimensional antiferromagnet with T$_N$ = 220 K, La$_4$Co$_4$Bi and La$_4$Co$_4$Sb have behavior consistent with low dimensional magnetic coupling and ordering, with T$_N$ = 153 K and 143 K respectively. In addition to the Pb, Bi, and Sb based La$_4$Co$_4$X compounds, we were likely able to produce an analogous La$_4$Co$_4$Sn in polycrystalline form, although we were unable to isolate single crystals. We anticipate that using mutually compatible third elements with an antagonistic pair represents a generalizable design principle for discovering new materials and structure types containing low-dimensional substructures.

cond-mat.mtrl-sci↗

arXiv2024

Imaginary phonon modes and phonon-mediated superconductivity in Y2C3

For Y$_2$C$_3$ with a superconducting critical temperature (T$_c$) $\sim$18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry $I$-$43d$ structure due to C dimer wobbling motion and electronic instability from a flat band near Fermi energy. After lattice distortion to the more stable lowest symmetry $P1$ structure, these stabilized low-energy phonon modes with a mixed C and Y character carry a strong electron-phonon coupling to give arise to the observed sizable T$_c$. Our work shows that compounds with the calculated dynamical instability should not be simply excluded in high-throughput search for new phonon-mediated superconductors. Moreover, we have studied the phase stability of the $I$-$43d$ structure by calculating the enthalpy of different structural motifs of binary compounds containing group IV elements at the 2:3 composition and also exploring the energy landscapes via $ab$ $initio$ molecular dynamics near and out of the $I$-$43d$ structure. Our results show that the $I$-$43d$ type structures with C dimers are preferred in the low to medium pressure range. Because of the wobbling motion of the C dimers, there are many local energy minimums with degenerated energies. Thus, the ensemble average of many $I$-$43d$-distorted structures with C dimer wobbling motion at finite temperature still gives an overall $I$-$43d$ structure.

cond-mat.supr-con↗

arXiv2024

Insulator to Metal Transition, Spin-Phonon Coupling, and Potential Magnetic Transition Observed in Quantum Spin Liquid Candidate LiYbSe$_2$ under High Pressure

Metallization of quantum spin liquid (QSL) materials has long been considered as a potential route to achieve unconventional superconductivity. Here we report our endeavor in this direction by pressurizing a three-dimensional QSL candidate, LiYbSe$_2$, with a previously unreported pyrochlore structure. High-pressure X-ray diffraction and Raman studies up to 50 GPa reveal no appreciable changes of structural symmetry or distortion in this pressure range. This compound is so insulating that its resistance decreases below 10$^5$ $Ω$ only at pressures above 25 GPa in the corresponding temperature range accompanying the gradual reduction of band gap upon compression. Interestingly, an insulator-to-metal transition takes place in LiYbSe$_2$ at about 68 GPa and the metallic behavior remains up to 123.5 GPa, the highest pressure reached in the present study. A possible sign of magnetic or other phase transition was observed in LiYbSe$_2$. The insulator-to-metal transition in LiYbSe$_2$ under high pressure makes it an ideal system to study the pressure effects on QSL candidates of spin-1/2 Yb$^{3+}$ system in different lattice patterns.

cond-mat.str-el↗

arXiv2023

Vacancy Tuned Magnetism in LaMn$_x$Sb$_2$

The layered ATMPn$_2$ (A = alkali earth or rare earth atom, TM = transition metal, Pn = Sb, Bi) compounds are widely studied for their rich magnetism and electronic structure topology. Here, we characterize the physical properties of LaMn$_x$Sb$_2$, an understudied member of the ATMPn$_2$ family. LaMn$_x$Sb$_2$ forms with intrinsic Mn vacancies, and we demonstrate synthetic control of the Mn occupancy to produce single crystals with x = 0.74-0.97. Magnetization and transport measurements indicate LaMn$_x$Sb$_2$ has a rich temperature-composition (T-x) magnetic phase diagram with physical properties strongly influenced by the Mn occupancy. LaMn$_x$Sb$_2$ orders antiferromagnetically at T$_{1}$ = 130--180 K, where T$_{1}$ increases with x. Below T$_{1}$, the T-x phase diagram is complicated. At high x, there is a second transition T$_2$ that decreases in temperature as x is lowered, vanishing below x $\leq$ 0.85. A third, first-order, transition T$_3$ is detected at x $\approx$ 0.92, and the transition temperature increases as x is lowered, crossing above T$_2$ near x $\approx$ 0.9. On moving below x $<$ 0.79, we find the crystal structure changes from the P4/nmm arrangement to a I$\bar{4}$2m structure with partially ordered Mn vacancies. The change in crystal structure results in the appearance of two new low temperature phases and a crossover between regimes of negative and positive magnetoresistance. Finally, we provide neutron diffraction for x = 0.93, and find that the high x compositions first adopt a G-type AFM structure with the Mn moments aligned within the ab-plane which is followed on cooling by a second transition to a different, non-collinear structure where the moments are rotated within the basal plane. Our results demonstrate that LaMn$_x$Sb$_2$ is a highly tunable material with six unique magnetically ordered phases, depending on T and x.

cond-mat.mtrl-sci↗

arXiv2023

Single crystal growth and characterization of antiferromagnetically ordering EuIn$_2$

We report the single crystal growth and characterization of EuIn$_2$, a magnetic topological semimetal candidate according to our density functional theory (DFT) calculations. We present results from electrical resistance, magnetization, Mössbauer spectroscopy, and X-ray resonant magnetic scattering (XRMS) measurements. We observe three magnetic transitions at $T_{\text{N}1}\sim 14.2~$K, $T_{\text{N}2}\sim12.8~$K and $T_{\text{N}3}\sim 11~$K, signatures of which are consistently seen in anisotropic temperature dependent magnetic susceptibility and electrical resistance data. Mössbauer spectroscopy measurements on ground crystals suggest an incommensurate sinusoidally modulated magnetic structure below the transition at $T_{\text{N}1}\sim 14~$K, followed by the appearance of higher harmonics in the modulation on further cooling roughly below $T_{\text{N}2}\sim13~$K, before the moment distribution squaring up below the lowest transition around $T_{\text{N}3}\sim 11~$K. XRMS measurements showed the appearance of magnetic Bragg peaks below $T_{\text{N}1}\sim14~$K, with a propagation vector of $\bmτ$ $=(τ_h,\barτ_h,0)$, with $τ_h$varying with temperature, and showing a jump at $T_{\text{N}3}\sim11$~K. The temperature dependence of $τ_h$ between $\sim11$~K and $14$~K shows incommensurate values consistent with the Mössbauer data. XRMS data indicate that $τ_h$ remains incommensurate at low temperatures and locks into $τ_h=0.3443(1)$.

cond-mat.mtrl-sci↗