Stability of the first-order character of phase transition in HoCo2
Supplementary material for the details of the specific heat and magnetization data.
Kumar, Ajay↗
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Results for “specific phase transitions”
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Tuning the structure and superconductivity of SrNi 2 P 2 by Rh substitution
The compound SrNi 2 P 2 is unique among the ThCr 2 Si 2 class since it exhibits a temperature-induced transition upon cooling from an uncollapsed tetragonal (ucT) state to a one-third-collapsed orthorhombic (tcO) state where one out of every three P-rows bond across the Sr layers. This compound is also known for exhibiting bulk superconductivity below 1.4 K at ambient pressure. Here, in this paper, we report on the effects of Rh substitution in Sr(Ni 1-x Rh x ) 2 P 2 on the structural and superconducting properties. We studied the variation of the nearest P-P distances as a function of the Rh fraction at room temperature, as well as its temperature dependence for selected compositions. We find that increasing the Rh fraction leads to a decrease in the transition temperature between the ucT and tcO states, until a full suppression of the tcO state for x ≥ 0.166. The superconducting transition first remains nearly insensitive to the Rh fraction, and then it increases to 2.3 K after the tcO state is fully suppressed. These results are summarized in a phase diagram, built upon the characterization by energy dispersive x-ray spectroscopy, x-ray diffraction, resistance, magnetization, and specific heat measurements done on crystalline samples with varying Rh content. The relationship between band structure, crystal structure, and superconductivity is discussed based on previously reported band structure calculations on SrRh 2 P 2 . Moreover, the effect of Rh fraction on the stress-induced structural transitions is also addressed by means of strain-stress studies done by uniaxial compression of single-crystalline micropillars of Sr(Ni 1-x Rh x ) 2 P 2 .
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Anisotropic magnetism and Kondo-lattice behavior in the frustrated antiferromagnet Ce 3 MgBi 5
Here, we report the synthesis and physical characterization of single-crystalline Ce 3 MgBi 5 , a previously unexplored member of the Ce 3 𝑀𝑃𝑛 5 family. This compound crystallizes in the hexagonal 𝑃6 3 /𝑚𝑐𝑚 structure, featuring an anisotropic Ce sublattice composed of zigzag chains along the 𝑐 axis and a distorted kagome-like network in the basal plane. Magnetization measurements reveal antiferromagnetic order below 𝑇 𝑁 ≈ 4.2K with strong magnetic anisotropy and multiple field-induced metamagnetic transitions for fields applied perpendicular to [001], leading to a dome-shaped 𝐻–𝑇 phase diagram. Electrical transport exhibits characteristic signatures of a Ce-based Kondo lattice, including broad resistivity maxima and pronounced field-dependent anomalies in the magnetoresistance and Hall response that track the magnetic phase boundaries. Specific-heat measurements confirm the magnetic transition and show that the full R ln 2 entropy expected for a Ce 3+ Kramers doublet is recovered by 20 K, indicating an extended temperature range of magnetic fluctuations consistent with Kondo correlations. Our results establish Ce 3 MgBi 5 as a platform within the Ce 3 𝑀𝑃𝑛 5 family for exploring the interplay of geometric frustration, magnetic anisotropy, and Kondo-lattice physics under applied magnetic fields.
Kondo effect↗
Impact of CuInP 2 S 6 –metal interfaces on the stabilization of polar phases and polarization switching
The multifunctionality of two-dimensional ferroelectric CuInP 2 S 6 (CIPS) arises from the existence of multiple polar phases combined with a high ionic conductivity that facilitates polarization switching in unusual ways. The van der Waals (vdW) layered structure provides ultrathin flakes and ideal interfaces to integrate with other materials for microelectronics and neuromorphic elements. However, device integration necessitates metal contacts to read, write, or transmit signals. In this work, we find that different types of metal–CIPS interfaces strongly impact the stabilization of specific polar phases and the field-induced transitions between the polarization states. Cu electrodes initially suppress the piezoresponse, whereas, at CIPS–Ag interfaces, the electromechanical signal is increased. Under electric fields, the Cu electrodes, Ag electrodes and surrounding CIPS surfaces can show distinct switching behavior as different phases and polarization orientations are stabilized. These findings highlight that metal–CIPS interfaces provide the opportunity to optimize functional material properties.
Ferroelectrics and multiferroics↗
Ion diffusion retarded by diverging chemical susceptibility
Abstract For first-order phase transitions, the second derivatives of Gibbs free energy (specific heat and compressibility) diverge at the transition point, resulting in an effect known as super-elasticity along the pressure axis, or super-thermicity along the temperature axis. Here we report a chemical analogy of these singularity effects along the atomic doping axis, where the second derivative of Gibbs free energy (chemical susceptibility) diverges at the transition point, leading to an anomalously high energy barrier for dopant diffusion in co-existing phases, an effect we coin as super-susceptibility. The effect is realized in hydrogen diffusion in vanadium dioxide (VO 2 ) with a metal-insulator transition (MIT). We show that hydrogen faces three times higher energy barrier and over one order of magnitude lower diffusivity when it diffuses across a metal-insulator domain wall in VO 2 . The additional energy barrier is attributed to a volumetric energy penalty that the diffusers need to pay for the reduction of latent heat. The super-susceptibility and resultant retarded atomic diffusion are expected to exist universally in all phase transformations where the transformation temperature is coupled to chemical composition, and inspires new ways to engineer dopant diffusion in phase-coexisting material systems.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Single crystal synthesis and magnetic properties of a Shastry-Sutherland lattice compound BaNd 2 ZnS 5
In this study, single crystals of a Shastry-Sutherland magnetic semiconductor, BaNd 2 ZnS 5 , were synthesized through a high-temperature solution growth technique. Physical properties were characterized by powder and single crystal x-ray diffraction, temperature- and field-dependent magnetization, and temperature-dependent specific heat measurements. BaNd 2 ZnS 5 orders antiferromagnetically at 2.9 K, with magnetic moments primarily aligned within the $ab$ -plane. Magnetic isothermal measurements show metamagnetic transitions at ~ 15 kOe for the [110] direction and ~ 21 kOe for the [100] direction. Estimated magnetic entropy suggests a double ground state for each neodymium ion.
36 MATERIALS SCIENCE↗
Thermal transport measurements through the charge density wave transition in CsV 3 Sb 5
We study thermal transport and thermalization in single crystals of CsV 3 Sb 5 through the CDW transition by directly measuring thermal diffusivity (D), thermal conductivity (κ), specific heat (c), and resistivity (ρ). Commensurate with previous reports, we observe a sharp, narrow anomaly in specific heat associated with a first-order transition that results in a CDW state below ~94 K. While a corresponding sharp anomaly in thermal diffusivity is also observed, resistivity and thermal conductivity only exhibit small steps at the transition, where the feature is sharp for resistivity and broader for thermal conductivity. Scrutinizing the thermal Einstein relation κ = cD, we find that this relation is generally satisfied, except in the narrow two-phase regime of the putative first-order transition. Here, the Wiedemann-Franz law as well seems to work outside the two-phase regime, where strong resemblance between the specific heat and the resistivity derivative below the transition may point to a concurrent emergence of a secondary electronic order parameter.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Holographic measurement in CFT thermofield doubles
We extend the results of arXiv:2209.12903 by studying local projective measurements performed on subregions of two copies of a CFT 2 in the thermofield double state and investigating their consequences on the bulk double-sided black hole holographic dual. We focus on CFTs defined on an infinite line and consider measurements of both finite and semi-infinite subregions. In the former case, the connectivity of the bulk spacetime is preserved after the measurement. In the latter case, the measurement of two semi-infinite intervals in one CFT or of one semi-infinite interval in each CFT can destroy the Einstein-Rosen bridge and disconnect the bulk dual spacetime. In particular, we find that a transition between a connected and disconnected phase occurs depending on the relative size of the measured and unmeasured subregions and on the specific Cardy state the measured subregions are projected on. We identify this phase transition as an entangled/disentangled phase transition of the dual CFT system by computing the post-measurement holographic entanglement entropy between the two CFTs. We also find that bulk information encoded in one CFT in the absence of measurement can sometimes be reconstructed from the other CFT when a measurement is performed, or can be erased by the measurement. Finally, we show that a purely CFT calculation of the Renyi entropy using the replica trick yields results compatible with those obtained in our bulk analysis.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Magnetic field-temperature phase diagram of the spin-$\frac{1}{2}$ triangular lattice antiferromagnet KYbSe 2
A quantum spin liquid (QSL) is a state of matter characterized by fractionalized quasiparticle excitations, quantum entanglement, and a lack of long-range magnetic order. However, QSLs have evaded definitive experimental observation. Several Yb 3+ -based triangular lattice antiferromagnets with effective 𝑆 = $\frac{1}{2}$ have been suggested to stabilize the QSL state as the ground state. Here, in this work, we build a comprehensive magnetic temperature phase diagram of a high-quality single crystalline KYbSe 2 via heat capacity and magnetocaloric effect down to 30 mK with magnetic field applied along the 𝑎 axis. At zero magnetic field, we observe the magnetic long-range order at 𝑇 N =0.29 K entering 120 degrees ordered state in heat capacity, consistent with neutron scattering studies. Analysis of the low-temperature (𝑇) specific heat (𝐶) at zero magnetic field indicates linear 𝑇 dependence of 𝐶/𝑇 and a broad hump of 𝐶/𝑇 in the proximate QSL region above 𝑇 N . By applying magnetic field, we observe the up-up-down phase with 1/3 magnetization plateau and oblique phases, in addition to two new phases. These observations strongly indicate that while KYbSe 2 closely exhibits characteristics resembling an ideal triangular lattice, deviations may exist, such as the effect of the next-nearest-neighbor exchange interaction, calling for careful consideration for spin Hamiltonian modeling. Further investigations into tuning parameters, such as chemical pressure, could potentially induce an intriguing QSL phase in the material.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Small-moment antiferromagnetic ordering in single-crystalline La 2 Ni 7
Single crystals of La 2 Ni 7 have been grown out of a binary, La-Ni melt. Temperature dependent, zero magnetic field, specific heat, electrical resistivity, and low field magnetization measurements indicate that there is a series of antiferromagnetic phase transitions at T 1 = 61.0 ± 0.2 K, T 2 = 56.5 ± 0.2 K and T 3 = 42.2 ± 0.2 K. The three specific heat anomalies found at these temperatures qualitatively have very small entropy changes associated with them and the anisotropic M(H) data saturate at ~ 0.12 μ B /Ni; both observations strongly suggesting the AFM order is associated with very small, itinerant, moments. Anisotropic, H ||c and H ⟂c , ρ(H) and M(H) isotherms as well as constant field, ρ(T) and M(T) sweeps manifest signatures of multiple phase lines and result in HT phase diagrams that are clearly anisotropic. Analysis of M(T) and M(H) data allow for the identification of the two lower temperature magnetically ordered states as antiferromagnetically ordered, with the moments aligned along the crystallographic c-axis, and the higher temperature, T 2 < T < T 1 , state as having a finite ferromagnetic component. In addition, the metamagnetic transition at low temperatures, for H applied along the crystallographic c-axis (H ||c ) appears to be a near classic example of a spin-flop transition, resulting in a field stabilized antiferromagnetic state with the moments ordered perpendicular to the c-axis. Finally, although the small moment ordering, and existence of multiple phase transitions in field and temperature, suggesting an energetic proximity of these states, could foretell a degree of pressure sensitivity, our measurements of R(T) for applied pressures up to 2.0 GPa indicate that there is very little pressure dependence of T 1 , T 2 and T 3 .
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries
Sodium-ion batteries have garnered unprecedented attention as an electrochemical energy storage technology, but it remains challenging to design high-energy-density cathode materials with low structural strain during the dynamic (de)sodiation processes. In this paper, we report a P2-layered lithium dual-site-substituted Na 0.7 Li 0.03 [Mg 0.15 Li 0.07 Mn 0.75 ]O 2 (NMLMO) cathode material, in which Li ions occupy both transition-metal (TM) and alkali-metal (AM) sites. The combination of theoretical calculations and experimental characterizations reveals that Li TM creates Na–O–Li electronic configurations to boost the capacity derived from the oxygen anionic redox, while Li AM serves as LiO 6 prismatic pillars to stabilize the layered structure through suppressing the detrimental phase transitions. As a result, NMLMO delivers a high specific capacity of 266 mAh g –1 and simultaneously exhibits the nearly zero-strain characteristic within a wide voltage range of 1.5–4.6 V. Our findings highlight the effective way of dual-site substitution to break the capacity–stability trade-off in cathode materials for advanced rechargeable batteries.
25 ENERGY STORAGE↗
Manipulating Cu vacancy in Yb triangular lattice Materials: Investigating the quantum disordered compound CuYbSe 2 and spin glass Cu 2.73 YbP 2
Yb-based triangular lattice materials have attracted significant attention due to their potential for hosting exotic magnetic quantum states. In this paper, we report the structural, magnetic, and thermodynamic properties of two Yb triangular lattice compounds with vacancy disorder at nonmagnetic Cu sites: CuYbSe 2 and Cu 2.73 YbP 2 . Single-crystal x-ray diffraction determines notable Cu-site vacancies in both materials. Unlike a single Cu site with 0.5 occupancy in CuYbSe 2 , Cu 2.73 YbP 2 only presents 27% vacancies on one of three Cu sites. Magnetic susceptibility measurements indicate dominant antiferromagnetic interactions between Yb 3+ ions. The effective magnetic moment is consistent with an effective spin-1/2 state of Yb 3+ . CuYbSe 2 exhibits strong magnetic anisotropy between in-plane and out-of-plane directions with the estimated exchange interactions 𝐽 𝑎 /𝑘 B = 6.48 K and 𝐽 𝑐 /𝑘 B = 2.55 K. No magnetic ordering is observed down to 0.4 K, supporting its quantum disordered ground state and candidacy as a quantum spin liquid. In contrast, Cu 2.73 YbP 2 shows clear evidence of spin freezing at 4.5 K in both magnetization and heat capacity data, indicating a spin glass state. The field-induced magnetic orders are found in CuYbSe 2 . These results highlight the critical role of structural vacancies in perturbing Yb-based triangular lattices. In conclusion, we demonstrate that while the intrinsic Yb triangular lattices are comparable, the presence of Cu vacancies can fundamentally alter the magnetic ground state—tuning the system between quantum disordered and spin glass behavior.
Frustrated magnetism↗
Sample-dependent and sample-independent thermal transport properties of α – RuCl 3
In this study, we investigated the thermal transport properties of two α–RuCl 3 crystals with different degrees of stacking disorder to understand the origin of the previously reported oscillatory feature in the field dependence of thermal conductivity. Crystal I shows only one magnetic order around 13 K, which is near the highest T N for α–RuCl 3 with stacking faults. Crystal II has less stacking disorder, with a dominant heat capacity at 7.6 K along with weak anomalies at 10 and 13 K. In the temperature and field dependence of thermal conductivity, no obvious anomaly was observed to be associated with the magnetic order around 13 K for either crystal or around 10 K for crystal II. Crystal II showed clear oscillations in the field dependence of thermal conductivity, while crystal I did not. For crystal I, an L-shaped region in the temperature-field space was observed where thermal Hall conductivity κ xy /T is within ±20% of the half quantized thermal Hall conductivity κ HQ /T, while for crystal II, κ xy /T reaches κ HQ /T only in the high field and high temperature regime with no indication of a plateau at κ HQ /T. Our thermal conductivity data suggest the oscillatory features are inherent to the zigzag ordered phase with T N near 7 K. Our planar thermal Hall effect measurements suggest the sensitivity of this phenomena to stacking disorder. Overall, our results highlight the importance of understanding and controlling crystallographic disorder for obtaining and interpreting intrinsic thermal transport properties in α–RuCl 3 .
36 MATERIALS SCIENCE↗
Hydrostatic pressure effect on the Co-based honeycomb magnet BaCo 2 (AsO 4 ) 2
Here the honeycomb antiferromagnet BaCo 2 (AsO 4 ) 2 , in which small in-plane magnetic fields (H1 ≈ 0.26T and H2 ≈ 0.52T at T = 1.8 K < T N ≈ 5.4K) induce two magnetic phase transitions, has attracted attention as a possible candidate material for the realization of Kitaev physics based on the 3d element Co 2+ . Here, we report on the change in the transition temperature T N and the critical fields H1 and H2 of BaCo 2 (AsO 4 ) 2 with hydrostatic pressure up to ~20 kbar, as determined from magnetization and specific heat measurements. Within this pressure range, a marginal increase in the magnetic ordering temperature is observed. At the same time, the critical fields are changed significantly (up to ~25 –35%). Specifically, we find that H1 is increased with hydrostatic pressure, i.e., the antiferromagnetic state is stabilized, whereas H2, which was previously associated with a transition into a proposed Kitaev spin-liquid state, decreases with increasing pressure. We discuss to what extent these results are compatible with suggested models with sizable third-nearest-neighbor exchange. Overall, the results put constraints on the magnetic models that are used to describe the low-temperature magnetic properties of BaCo 2 (AsO 4 ) 2 .
2-dimensional systems↗
Stability of the first-order character of phase transition in HoCo 2
HoCo 2 exhibits a giant magnetocaloric (MC) effect at its first-order magnetostructural phase transition around 77 K, and understanding the thermodynamic nature of this transition in response to external magnetic fields is crucial for its MC applications. In this study, we present a comprehensive investigation of specific heat and magnetization measurements of HoCo 2 under varying magnetic fields. The specific heat measurements qualitatively indicate a transformation from first- to second-order behavior of this phase transition at higher magnetic fields. However, analysis of the power-law dependence of the magnetic entropy change (Δ S M ∝H n ) and the breakdown of universal behavior in the temperature dependence of Δ S M suggest that the first-order nature remains intact, even up to 7 T. This stability of the first-order nature is further manifested through the distinctive non-linear behavior of modified Arrott plots, with a negative slope in the 6–7 T range.
36 MATERIALS SCIENCE↗
Tuning the spin dynamics and magnetic phase transitions of the Cantor alloy via composition and sample processing protocols: A muon spin relaxation study
CrMnFeCoNi, also called the Cantor alloy, is a well-known high-entropy alloy whose magnetic properties have recently become a focus of attention. Here, we present a detailed muon spin relaxation study of the influence of chemical composition and sample processing protocols on the magnetic phase transitions and spin dynamics of several different Cantor alloy samples. Specific samples studied include a pristine equiatomic sample, samples with deficient and excess Mn content, and equiatomic samples magnetized in a field of 9 T or plastically deformed in pressures up to 0.5 GPa. The results confirm the sensitive dependence of the transition temperature on composition and demonstrate that post-synthesis pressure treatments cause the transition to become significantly less homogeneous throughout the sample volume. In addition, we observe critical spin dynamics in the vicinity of the transition in all samples, reminiscent of canonical spin glasses and magnetic materials with ideal continuous phase transitions. Application of an external magnetic field suppresses the critical dynamics in the Mn-deficient sample, while the equiatomic and Mn-rich samples show more robust critical dynamics. The spin-flip thermal activation energy in the paramagnetic phase increases with Mn content, ranging from 3.1(3) × 10 -21 J for 0% Mn to 1.2(2) × 10 -20 J for 30% Mn content. These results shed light on critical magnetic behavior in environments of extreme chemical disorder and demonstrate the tunability of spin dynamics in the Cantor alloy via chemical composition and sample processing.
36 MATERIALS SCIENCE↗
Design and development of a leak tight helium II valve with low thermal impact
The Lambda Point Experiment is a precision measurement of the specific heat of liquid helium near the lambda point phase transition, in the low gravity of the space shuttle. It requires a valve for the helium sample chamber that operates at helium II temperature, has minimal thermal disturbance to the rest of the instrument, and is leak tight to helium II. A valve meeting these and all of the other science and engineering requirements of the mission has been developed by Ball. Initially, both torque and pressure actuated valve concepts were considered; the final flight design is pressure actuated. The rational for this decision as well as the rest of the valve design are given. The paper also discusses the manufacturing and testing of the prototype and flight valves. Test data is presented and discussed.
Mills, G. L.↗
Validation of Kestrel IDDES Simulations for SLS Transition Analysis
Complex computational simulations are needed to support the Space Launch System (SLS) program, and the fidelity of the computational results must be defended. More specifically, a number of databases are produced for the transition phase of flight, which occurs after the rocket clears the tower but before reaching transonic speeds. In an effort to reduce computational uncertainty, many of the computational parameters were altered to determine the sensitivity of the results to the value of the parameter and then updating the best practice procedures. The baseline routines were developed over many years through the maturation of the SLS program, and this paper delivers a detailed discussion of these baseline results. This section is followed by demonstration of perturbing some of the more significant parameters, including time step and turbulence model, and concluded with a summary of the herein determined best practices for such analysis.
CFD↗