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Néel-type antiferromagnetic order and magnetic field–temperature phase diagram in the spin-1/2 rare-earth honeycomb compound YbCl 3

Most of the searches for Kitaev materials deal with 4 d / 5 d magnets with spin-orbit-coupled J = 1 / 2 local moments such as iridates and α - RuCl 3 . Here we propose the monoclinic YbCl 3 with a Yb 3 + honeycomb lattice for the exploration of Kitaev physics. We perform thermodynamic, a c susceptibility, angle-dependent magnetic torque, and neutron diffraction measurements on YbCl 3 single crystal. We find that the Yb 3 + ion exhibits a Kramers doublet ground state that gives rise to an effective spin J eff = 1 / 2 local moment. Additionally, the compound exhibits short-range magnetic order below 1.20 K, followed by a long-range Néel-type antiferromagnetic order at 0.60 K, below which the ordered Yb 3 + spins lie in the a c plane with an angle of 16(11) ° away from the a axis. These orders can be suppressed by in-plane and out-of-plane magnetic fields at around 6 and 10 T, respectively. Moreover, the Néel temperature varies nonmonotonically under the out-of-plane magnetic fields, suggesting a reduced spin dimensionality. Finally, together with the strong in-plane magnetic anisotropy and the reduced order moment 0.8(1) μ B at 0.25 K, all indicate that YbCl 3 could be a two-dimensional spin system to proximate the Kitaev physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic Phase Diagrams of R{sub 1–x}Sr{sub x}(Mn{sub 1–x/2}Sb{sub x/2})O{sub 3} (R = La, Pr, Nd, Sm, Eu) with Trivalent Manganese Ions

The results of neutron-diffraction, magnetic, and magnetotransport studies of La{sub 1‒x}Sr{sub x}(Mn{sub 1-x/2}{sup 3+}Sb{sub x/2}{sup 5+})O{sub 3} (x ≤ 0.7) pervoskites, which contain only Mn{sup 3+} ions, are reported. It is demonstrated that the system undergoes a transition from the antiferromagnetic state to the ferromagnetic one at x ∼ 0.2. Its structure then changes from O′-orthorombic to O-orthorombic, which is attributable to orbital disordering. At x ≥ 0.6, the competition between antiferromagnetic and ferromagnetic interactions and strong diamagnetic dilution trigger the emergence of the cluster spin-glass phase. As the ionic radius of rare-earth ions in R{sub 0.7}Sr{sub 0.3}Mn{sub 0.85}Sb{sub 0.15}O{sub 3} decreases, the ferromagnetic state transforms gradually into spin glass (R = Sm). All ferromagnetic compositions are dielectric in the magnetically ordered phase with strong magnetoresistive effects. It is assumed that ferromagnetism is induced by the strong covalency and orbital disordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hydrogenation studies on NdScSi and NdScGe

NdScSi and NdScGe were synthesized from the elements via arc-melting and subsequent annealing. Their ordered La{sub 2}Sb type structures, with space group I4/mmm, were refined from single crystal X-ray diffractometer data: a=428.94(6) and b=1570.5(3) pm, wR2=0.0395, 309 F{sup 2} values for NdScSi and a=431.2(1) and c=1581.3(5) pm, wR2=0.1220, 227 F{sup 2} values for NdScGe, with 11 variables per refinement. Hydrogen insertion was performed on both Nd-based intermetallics by solid/gas reaction. Hydrogen uptake keeps the pristine compound space group but yields an anisotropic expansion of the unit cell with a large increase of c (≈+7%) and a slight decrease of a (≈−1.7%) parameters. Hydrogen absorption at 350 °C and under 5 bar of H{sub 2} pressure shows that the hydride NdScSiH{sub 1.48(5)} is formed. An in-situ neutron diffraction study during the deuteration of NdScSi reveals for the first time in a CeScSi-type compound, the possibility to fill two interstitial sites with deuterium atoms, leading to the composition NdScSiD{sub 1.5} for the deuteride adopting then the La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type structure. From magnetization measurements, we evidence that hydrogenation strongly reduces the Curie temperature of NdScSi (T{sub C}=175 K) and NdScGe (T{sub C}=194 K) since NdScSiH{sub 1.5} and NdScGeH{sub x} undergo a magnetic transition at 4 K and around 2 K, respectively. - Highlights: • Crystal structures of NdScSi and NdScGe were refined from single crystal XRD data. • The hydrogenation of NdScSi leads to the formation of the NdScSiH{sub 1.5} hydride. • NdScSiD{sub 1.5} adopts the La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type structure. • Hydrogenation strongly reduces the ordering temperature of both intermetallics.

36 MATERIALS SCIENCE↗

Deformation behavior of additively manufactured GP1 stainless steel

In-situ neutron diffraction measurements were performed in this paper during heat-treating and uniaxial loading of additively manufactured (AM) GP1 material. Although the measured chemical composition of the GP1 powder falls within the composition specifications of 17-4 PH steel, a fully martensitic alloy in the wrought condition, the crystal structure of the as-built GP1 material is fully austenitic. Chemical analysis of the as-built material shows high oxygen and nitrogen content, which then significantly decreased after heat-treating in a vacuum furnace at 650 °C for one hour. Significant austenite-to-martensite phase transformation is observed during compressive and tensile loading of the as-built and heat-treated material with accompanied strengthening as martensite volume fraction increases. During loading, the initial average phase stress state in the martensite is hydrostatic compression independent of the loading direction. Finally, preferred orientation transformation in austenite and applied load accommodation by variant selection in martensite are observed via measurements of the texture development.

36 MATERIALS SCIENCE↗

Role of critical fluctuations in the formation of a skyrmion lattice in MnSi

The region in the H–T phase diagram near the critical temperature (T{sub c}) of the cubic helicoidal MnSi magnet is comprehensively studied by small-angle neutron diffraction. Magnetic field H is applied along the [111] axis. The experimental geometry is chosen to simultaneously observe the following three different magnetic states of the system: (a) critical fluctuations of a spin spiral with randomly orientated wavevector k{sub f}, (b) conical structure with k{sub c} ǁ H, and (c) hexagonal skyrmion lattice with k{sub sk} ⊥ H. Both states (conical structure, and skyrmion lattice) are shown to exist above critical temperature T{sub c} = 29 K against the background of the critical fluctuations of a spin spiral. The conical lattice is present up to the temperatures where fluctuation correlation length ξ becomes comparable with pitch of spiral d{sub s}. The skyrmion lattice is localized near T{sub c} and is related to the fluctuations of a spiral with correlation length ξ ≈ 2d{sub s}, and the propagation vector is normal to the field (k{sub sk} ⊥ H). These spiral fluctuations are assumed to be the defects that stabilize the skyrmion lattice and promote its formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Synthesis, structure and electrochemical properties of layered La{sub 2}Li{sub 2x}(CO{sub 3}){sub 1−x}O{sub 2+2x}

An oxide ion conductor, La{sub 2}Li{sub 2x}(CO{sub 3}){sub 1−x}O{sub 2+x} (x=0.15), was synthesized using a solid-state reaction, and its structure was subsequently determined by Rietveld refinement analyses of synchrotron X-ray and high-resolution powder neutron diffraction data. These analyses determined that carbonate groups are situated between (La{sub 2}O{sub 2}{sup 2+}){sub n} layers in an ordered arrangement and that both oxygen vacancies and interstitial oxygen ions exist within the carbonate layers, resulting in a composition of La{sub 2}Li{sub 0.3}(CO{sub 3}){sub 0.85}O{sub 2.3}. This material is structurally stable up to 500 °C and exhibits a conductivity of 5.5×10{sup −5} S cm{sup −1} at 450 °C. Oxide vacancies associated with carbonate anions appear to be responsible for the ionic conduction observed in this material. - Graphical abstract: Thermal ellipsoid projection of the carbonate layer viewed from the c-axis, showing oxygen migration paths: (A, blue line) interstitial hopping and (B, green line) co-operative rotation. Display Omitted - Highlights: • Lithium insertion in the structure causes the structural changes in carbonate layer. • These structural changes create oxygen vacancies within the flexible carbonate layers and introduce interstitial oxygen. • These interstitial oxygen atoms and oxygen vacancies are involved in oxide ion diffusion through the carbonate layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complex magnetic ground state driving a large rotating magnetocaloric effect in Tb 3 Ni at low temperature

The rotating magnetocaloric effect (RMCE) offers a promising alternative to conventional magnetocaloric configurations by taking advantage of magnetic anisotropy to simplify device architecture and enhance refrigeration efficiency. In this study, the RMCE in a high-quality single crystal of Tb 3 Ni is investigated, a compound previously shown to exhibit significant magnetocaloric behavior along its easy axis of magnetization. By measuring the magnetization and corresponding entropy change along the three principal crystallographic axes using a discontinuous measurement protocol, we verify the anisotropic magnetic properties and derive the RMCE from rotations between hard ( a, b ) and easy ( c ) axes of magnetization. Our results show a maximum value for the rotating entropy change of 19.5 J kg −1 K −1 for µ 0 H = 7 T around 60 K, within the critical temperature window for industrial gas liquefaction applications. Neutron diffraction and magnetic Pair-Distribution Function (mPDF) analysis reveal that the origin of this large anisotropic response lies in a partially ordered incommensurate spin-density wave phase and persistent short-range ferromagnetic (FM) correlations. These complex magnetic states enable the release of a substantial amount of magnetic entropy when the field is applied along the easy c-axis, effectively driving the large RMCE. Comparison with other RMCE materials confirms Tb 3 Ni as one of the most promising candidates in this temperature regime, offering both a large magnetic entropy change and a wide operating window.

Gas liquefaction↗

Lithium stoichiometry of solid electrolytes based on tetragonal Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12}

Graphical abstract: - Highlights: • We prepared Li{sub x}La{sub 3}Zr{sub 2}O{sub 8.5+0.5x} (x = 6, 7, 8, 9, 10) by the citrate–nitrate method. • We studied phase composition and conductivity of Li{sub x}La{sub 3}Zr{sub 2}O{sub 8.5+0.5x}. • We proposed a simple method to determine the carbonate impurity content in the solid electrolytes. • The synthesized solid electrolytes Li{sub x}La{sub 3}Zr{sub 2}O{sub 8.5+0.5x} (x = 7–9) have 1.32–3.49 wt.% Li{sub 2}CO{sub 3}. • The composition with x = 9 has high total conductivity, 7.5 × 10{sup −6} S cm{sup −1}, at room temperature. - Abstract: Samples of Li{sub x}La{sub 3}Zr{sub 2}O{sub 8.5+0.5x} (x = 6, 7, 8, 9, 10) were synthesized with the citrate–nitrate method. Neutron diffraction studies have shown the presence of lithium carbonate impurities in the synthesized compounds. We propose a simple and effective method to determine the carbonate impurity content in the solid electrolytes. The technique is based on the measurement of the carbon dioxide volume produced from the interaction of the investigated material with acid. Determined in this way, the content of Li{sub 2}CO{sub 3} in the synthesized electrolytes Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12}, Li{sub 8}La{sub 3}Zr{sub 2}O{sub 12.5} and Li{sub 9}La{sub 3}Zr{sub 2}O{sub 13} are 1.32 ± 0.04, 1.95 ± 0.06 and 3.49 ± 0.10 wt.%, respectively. From the obtained data, the actual lithium content per formula unit of complex oxide was calculated for the synthesized compounds. The composition with x = 9 had the highest total conductivity, σ = 7.5 × 10{sup −6} S cm{sup −1}, at room temperature. All the investigated electrolytes have an activation energy of approximately 50 kJ mol{sup −1}.

36 MATERIALS SCIENCE↗

Metastable formation and disordering kinetics of body-centered orthorhombic CrNi 2 laths in a Cr-Ni binary alloy

Chromium (Cr) alloys combine low density with high-temperature strength but suffer from brittleness and rapid softening. Body-centered orthorhombic (BCO) CrNi 2 laths have been shown to improve Cr-alloy high-temperature strength retention, yet their thermal stability and transformation behavior remain unclear. CrNi 2 conventionally forms through long-range ordering from a face-centered cubic (FCC) phase. Using multiscale microscopy and neutron diffraction, we show that CrNi 2 instead nucleates from a body-centered cubic (BCC) matrix, in a binary Cr 85 Ni 15 alloy. Despite aging above the equilibrium ordering temperature, CrNi 2 persists for ∼220 h at 760 °C before fully disordering, indicating sluggish transformation kinetics. The formation and decomposition follow differing transformation pathways (BCC → CrNi 2 → FCC), revealing kinetic asymmetry not captured by equilibrium Cr-Ni phase diagrams. In conclusion, these findings redefine the transformation behavior of CrNi 2 , establish its metastable kinetic window, and suggest alloying strategies to stabilize CrNi 2 for precipitation strengthening of high-temperature Cr-alloys.

CrNi2 transformation kinetics↗

Ce- and Ni-Codoped Double PrBaMn 2 O 5 Perovskite as a Ceramic SOFC Anode

This study explores the efficacy of cerium introduction, both on its own and in combination with nickel, into PrBaMn 2 O 5+δ (PBM) structures to enhance solid oxide fuel cell (SOFC) anodes. We synthesized Pr 1–x Ce x BaMn 2 O 5+δ compositions for x values of 0.05 (PrCe5) and 0.1 (PrCe10), as well as a nickel-doped variant (PrCe5Ni), assessing their performance under H 2 – 3% H 2 O reducing conditions pertinent to SOFC anode operations. Our findings reveal that the PrCe5 composition exhibits a thermal expansion coefficient (TEC) that not only improves upon that of the Ce-free counterpart but also aligns closely with the TEC standards of prevalent SOFC electrolytes. A notable advancement was achieved with the application of a 3.5 μm gadoliniadoped ceria (GDC) buffer layer through physical vapor deposition, effectively mitigating chemical interactions between PBM-based anodes and yttria-stabilized zirconia (YSZ) electrolytes, a concern highlighted by in situ neutron diffraction analyses. Electrochemical impedance spectroscopy, conducted over 220 h in a H 2 –3% H 2 O atmosphere at 750 °C, demonstrated that the optimal 3.5 μm thickness of the GDC buffer layer significantly minimizes the area-specific resistance (ASR) degradation rate to 0.002 Ω cm 2 /h, markedly outperforming both thinner (1 μm) and thicker (8 μm) GDC layers, which showed higher degradation rates of 0.15–0.2 Ω cm 2 /h due to the diffusion of Ba ions or delamination. Moreover, cerium doping fosters superior microstructural stability and obviates barium diffusion, thereby suggesting an enhanced durability of the doped anodes over their lifespan. Integrating nickel into the PrCe5 structure halved the ASR to 0.5 Ω cm 2 at 750 °C, situating it well within the ideal performance range for SOFC anodes. Furthermore, the enhancement brought about by simultaneously doping PBM with cerium and nickel, which fundamentally relies on the critical contributions of defect chemistry and crystal structure, highlights the significance of these fields in creating sophisticated materials for energy related applications.

25 ENERGY STORAGE↗

Unveiling the Role of Al 2 O 3 in Preventing Surface Reconstruction During High-Voltage Cycling of Lithium-Ion Batteries

Recent achievements in high-energy batteries have been made by using Ni-rich NMC cathodes (LiNi x Mn y Co 1–x–y O 2 with x > 0.5) in conjunction with higher cell voltages. However, these gains have come at a cost of fast capacity fade and poor rate performace. In our previous study, we showed that Al 2 O 3 ALD coatings on LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) and LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) cathodes prevented surface phase transitions, reduced impedance, and extended cycle life in high voltage cells. In this work, neutron diffraction (ND), X-ray photoelectron spectroscopy (XPS), and electron energy loss spectroscopy (EELS) are used to fully investigate the mechanism by which ALD surface coatings mitigate NMC811 cathode degredation. Refinement of ND patterns indicated no changes in the bulk crystal structure of cycled cathodes with or without the Al 2 O 3 coating. Rather, the improved performance of ALD-coated cathodes is clearly due to surface stabilization. EELS established that all three transition metal oxidation states were reduced at the surface of the uncoated cathode after cycling, whereas the coated cathode showed no changes in surface oxidation states relative to the bulk. The surface coatings also prevented transition metal dissolution and crossover. XPS analysis of the anode harvested from cycled cells with uncoated cathodes showed significant amounts of Mn deposited within the SEI. In contrast, no Mn could be detected on the anodes cycled with coated cathodes. These results affirm that ALD coatings can effectively reduce the reactivity of the NMC surface and prevent detrimental side reactions that shorten battery cycle life.

25 ENERGY STORAGE↗

Tailoring Microstructure and Mechanical Properties of Additively-Manufactured Ti6Al4V Using Post Processing

Additively-manufactured Ti-6Al-4V (Ti64) exhibits high strength but in some cases inferior elongation to those of conventionally manufactured materials. Post-processing of additively manufactured Ti64 components is investigated to modify the mechanical properties for specific applications while still utilizing the benefits of the additive manufacturing process. The mechanical properties and fatigue resistance of Ti64 samples made by electron beam melting were tested in the as-built state. Several heat treatments (up to 1000 °C) were performed to study their effect on the microstructure and mechanical properties. Phase content during heating was tested with high reliability by neutron diffraction at Los Alamos National Laboratory. Two different hot isostatic pressings (HIP) cycles were tested, one at low temperature (780 °C), the other is at the standard temperature (920 °C). The results show that lowering the HIP holding temperature retains the fine microstructure (~1% β phase) and the 0.2% proof stress of the as-built samples (1038 MPa), but gives rise to higher elongation (~14%) and better fatigue life. The material subjected to a higher HIP temperature had a coarser microstructure, more residual β phase (~2% difference), displayed slightly lower Vickers hardness (~15 HV10N), 0.2% proof stress (~60 MPa) and ultimate stresses (~40 MPa) than the material HIP’ed at 780 °C, but had superior elongation (~6%) and fatigue resistance. Heat treatment at 1000 °C entirely altered the microstructure (~7% β phase), yield elongation of 13.7% but decrease the 0.2% proof-stress to 927 MPa. The results of the HIP at 780 °C imply it would be beneficial to lower the standard ASTM HIP temperature for Ti6Al4V additively manufactured by electron beam melting.

36 MATERIALS SCIENCE↗

Synthesis and magnetic structure of the layered manganese oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2}

The synthesis of a high-purity sample of the layered oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} is reported. At ambient temperature it crystallises in the space group I4/mmm with two formula units in the unit cell and lattice parameters a=4.08771(1) Å, c=19.13087(8) Å. The compound displays mixed-valent manganese in a formal oxidation state close to +2.5 and powder neutron diffraction measurements reveal that below the Néel temperature of 63(1) K this results in an antiferromagnetic structure which may be described as A-type, modelled in the magnetic space group P{sub I}4/mnc (128.410 in the Belov, Neronova and Smirnova (BNS) scheme) in which localised Mn moments of 3.99(2) μ{sub B} are arranged in ferromagnetic layers which are coupled antiferromagnetically. In contrast to the isostructural compound Sr{sub 2}MnO{sub 2}Cu{sub 1.5}S{sub 2}, Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} does not display long range ordering of coinage metal ions and vacancies, nor may significant amounts of the coinage metal readily be deintercalated using soft chemical methods. - Graphical abstract: Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} containing mixed valent Mn ions undergoes magnetic ordering with ferromagnetic coupling within MnO{sub 2} sheets and antiferromagnetic coupling between MnO{sub 2} sheets. - Highlights: • High purity sample of Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} obtained. • Magnetic structure determined. • Compared with related mixed-valent manganite oxide chalcogenides.

36 MATERIALS SCIENCE↗

Understanding Low-cycle Fatigue Life Improvement Mechanisms in a Pre-twinned Magnesium Alloy

The mechanisms of fatigue life improvement by pre-twinning process in a commercial rolled magnesium (Mg) alloy have been investigated using real-time in situ neutron diffraction under a continuous-loading condition. It is found that by introducing the excess twinned grains through pre-compression along the rolling direction the fatigue life was enhanced approximately 50%, mainly resulting from the prolonged detwinning process and inhibited dislocation slip during reverse tension. Moreover, after pre-twinning process, the removal of the rapid strain hardening during reverse tension leads to a compressive mean stress value and more symmetric shape of stress-strain hysteresis loop. The pre-twinning has significant impacts on the twinning-detwinning characteristics and deformation modes during cyclic loading and greatly facilitates the twinning-detwinning activities in plastic deformation. The cyclic straining leads to the increase of contribution of tensile twinning deformation in overall plastic deformation in both the as-received and pre-deformed sample. The mechanisms of load partitioning in different groups of grains are closely related to the deformation modes in each deformation stage, while the fatigue cycling has little influence on the load sharing. The pre-twinning process provides an easy and cost-effective route to improve the low-cycle fatigue life through manufacturing and processing, which would advance the wide application of light-weight wrought Mg alloys as structural materials.

36 MATERIALS SCIENCE↗

High temperature microstructural stability and recrystallization mechanisms in 14YWT alloys

In-situ neutron diffraction experiments were performed on room temperature compressed 14YWT nanostructured ferritic alloys at 1100°C and 1150°C to understand their thermally activated static recrystallization mechanisms. The existence of high density of Y-Ti-O rich nano-oxides (<5 nm) shift the recrystallization temperature up due to Zener pinning of the grain boundaries, making these materials attractive for high temperature applications. This study serves to quantify the texture evolution in-situ and understand the effect of particles on the recrystallization mechanisms in 14YWT alloys. We have shown, both experimentally and theoretically, that there is considerable recovery in the 20% compressed sample after 6.5 h annealing at 1100°C while recrystallization occurs within an hour of annealing at 1100°C and 1150°C in the 60% compressed samples. Moreover, the 60% compressed samples show {112}<110> and {112}<111> texture components during annealing, in contrast to the conventional recrystallization textures in body centered cubic alloys. Furthermore, nano-oxide size, shape, density and distribution are considerably different in unrecrystallized and abnormally grown grains. Transmission electron microscopy analysis shows that oxide particles having a size between 5 and 30 nm play a critical role for recrystallization mechanisms in 14YWT nanostructured ferritic alloys.

36 MATERIALS SCIENCE↗

Residual strain and microstructure evolution in 316L stainless steel fabricated by hybrid additive/subtractive manufacturing

The extreme thermal gradients in additive manufacturing (AM) result in residual strains. Subsequent machining operations can relieve the AM strains but can introduce additional strains. AM and machining on the same platform, also called interleaving, during hybrid manufacturing has been shown to improve productivity. However, the impacts of these operations on the resulting residual strains are not well understood. In this investigation, neutron diffraction was used to measure residual strains in hybrid manufactured 316L stainless steel where blown-powder laser directed energy deposition (DED), and machining operations were interleaved in 1-inch intervals. We observe that the dominant texture developed during AM, resulting from different spot sizes and deposition parameters, significantly affects residual strain evolution. A dominant <011> texture along the build direction does not show any strain localization during interleaved deposition and machining whereas a dominant <001> texture shows strong tensile strain localization consistent with the pauses for machining at the end of AM step. Using coolant during machining can further alter the residual strain evolution. Our work shows that a combination of AM parameters and machining strategy can be used to influence the nature and magnitude of residual strains in components fabricated using convergent manufacturing technologies.

Hybrid manufacturing↗

Crystal and magnetic structures of magnetic topological insulators MnBi 2 Te 4 and MnBi 4 Te 7

Using single-crystal neutron diffraction, we present a systematic investigation of the crystal structure and magnetism of the van der Waals topological insulators MnBi 2 Te 4 and MnBi 4 Te 7 , where rich topological quantum states have been recently predicted and observed. Structural refinements reveal that considerable Bi atoms occupied on the Mn sites in both materials, distinct from the previously reported antisite disorder. We show unambiguously that MnBi 2 Te 4 orders antiferromagnetically below 24 K, featured by a magnetic symmetry R I - 3 c , while MnBi 4 Te 7 is antiferromagnetic below 13 K with a magnetic space group P c - 3 c 1 . They both present antiferromagnetically coupled ferromagnetic layers with spins along the c axis. We put forward a stacking rule for the crystal structure of an infinitely adaptive series MnBi 2 n Te 3 n + 1 ( n ≥ 1 ) with a building unit of [ Bi 2 Te 3 ] . Overall, by comparing the magnetic properties between MnBi 2 Te 4 and MnBi 4 Te 7 , together with recent density-functional theory calculations, we concluded that a two-dimensional magnetism limit might be realized in the derivatives. Our work may promote theoretical studies of topological magnetic states in the series of MnBi 2 n Te 3 n + 1 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A-type antiferromagnetic order in MnBi 4 Te 7 and MnBi 6 Te 10 single crystals

MnBi 4 Te 7 and MnBi 6 Te 10 are two members with n = 2 and 3 in the family of MnBi 2 n Te 3 n + 1 where the n = 1 member, MnBi 2 Te 4 , has been intensively investigated as the first intrinsic antiferromagnetic topological insulator. In this work, we report the A-type antiferromagnetic order in these two compounds by measuring magnetic properties, electrical and thermal transport, specific heat, and single-crystal neutron diffraction. Both compounds order into an A-type antiferromagnetic structure as does MnBi 2 Te 4 with ferromagnetic planes coupled antiferromagnetically along the crystallographic c axis. While no evidence for any in-plane ordered moment is found for MnBi 2 Te 4 or MnBi 6 Te 10 , weak reflections at half- L positions along the [0 0 L ] direction are observed for MnBi 4 Te 7 suggesting an in-plane ordered moment around 0.15 μ B / Mn . The ordering temperature, T N , is 13 K for MnBi 4 Te 7 and 11 K for MnBi 6 Te 10 . The magnetic order is also manifested in the anisotropic magnetic properties. Furthermore, for both compounds, the interlayer coupling is weak and a spin-flip transition occurs when a magnetic field of around 1.6 kOe is applied along the c axis at 2 K. As observed in MnBi 2 Te 4 , when cooling across T N , no anomaly was observed in the temperature dependence of thermopower. On the other hand, critical scattering effects are observed in thermal conductivity although the effect is less pronounced than that in MnBi 2 Te 4 .

36 MATERIALS SCIENCE↗