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Articles by Pascal Manuel
Production of aromatics from high density polyethylene over a hierarchical zeolite synthesised from steam-assisted crystallisation
Abstract The conversion of high-density polyethylene wastes to aromatic feedstocks in noble-metal-free systems poses a significant challenge. Here, we report a steam-assisted synthesised zeolite (SA-HZSM-5) that can promote the conversion of high-density polyethylene to aromatics, achieving simultaneously high conversion and selectivity (85.4% and 49.2%, respectively) at 260 °C, outperforming noble metal-based catalysts, such as Ru-HZSM-5, under the same conditions.
\({{\mathbb{Z}}}_{2}\) vortex crystal candidate in the triangular S = 1/2 quantum antiferromagnet
Abstract The prospect of merging the paradigms of geometric frustration on a triangular lattice and bond anisotropies in the strong spin-orbit coupling limit holds tremendous promise in the search for exotic quantum materials. Here we identify a new candidate system to realize such physics, the organic quantum antiferromagnet (CD3ND3)2NaRuCl6.
Enhanced two-dimensional ferromagnetism in van der Waals β-UTe 3 monolayers
Abstract The discovery of local-moment magnetism in van der Waals (vdW) semiconductors down to the single-layer limit has led to a paradigm shift in the understanding of two-dimensional (2D) magnets. The incorporation of strong electronic and magnetic correlations in 2D vdW metals remains a sought-after platform to enable control of emergent quantum phases and to achieve more theoretically tractable microscopic models of complex materials.
Giant magnetocaloric effect and spin supersolid in a metallic dipolar magnet - Nature
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Abstract The spin supersolid—a magnetic analogue of the supersolid that simultaneously exhibits solid and superfluid orders—has emerged as a promising sub-Kelvin refrigerant with strong low-energy fluctuations and associated entropic effects1. However, the stringent prerequisites have so far confined its presence to certain magnetic insulators.
By Mingfang Shu, Xitong Xu, Ning Xi, Miao He, Junsen Xiang, Dmitry Khalyavin, Pascal Manuel, Jinlong Jiao, Yonglai Liu, Guoliang Wu, Kaizhen Guo, Haitian Zhao, Wei Xu, Qingchen Duan, Ruidan Zhong, Xinqing Wang, Yuyan Han, Langsheng Ling, Xuefeng Sun, Dongsheng Song, Yuan Gao Verified, Zhentao Wang, Xi Chen, Tian Qian, Shuang Jia, Haifeng Du, Gang Su, Wei Li, Jie Ma, Zhe Qu, Gexing Qu, Jumpei G. Nakamura
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Nature
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Possible Peierls Distortion Through Re2 Dimer Formation in the LaNiO2‐Type Nitrides LnReN2 (Ln = Pr, Nd)
Introduction Perovskite and perovskite-related nitrides represent a rapidly expanding materials family emerging through high-pressure (HP) synthesis of LaReN3 and physical vapor deposition (PVD) preparation of LaWN3.[1, 2] This class now includes further ABN3-type compounds such as CeMoN3, CeWN3, CeTaN3 (PVD/HP), GdWN3 (PVD), the Ruddlesden–Popper nitrides Ce2TaN4 and Ln2ReN4 with Ln = Pr, Nd (HP), and molecular antiperovskites La3MN5 with M = Cr, Mn, Mo (HP).[3-8] The extended framework...
Cation Exchange as a Route to Introduce Magnetism to Hybrid-Improper Polar Phases
Introduction Click to copy section linkSection link copied! Materials which simultaneously exhibit a spontaneous, switchable electrical polarization (ferroelectricity) and a spontaneous, switchable magnetic polarization (ferromagnetism) are highly desired because such magnetoelectric materials (1−3) could allow the preparation of novel devices with applications in data manipulation and storage.
Fluctuation-driven topological Hall effect in room-temperature itinerant helimagnet Fe3Ga4 - Nature Communications
Abstract The topological Hall effect (THE) is a hallmark of a non-trivial geometric spin arrangement in a magnetic metal, originating from a finite scalar spin chirality (SSC). The associated Berry phase is often a consequence of non-coplanar magnetic structures identified by multiple k-vectors. For single - k magnetic structures however with zero SSC, the emergence of a finite topological Hall signal presents a conceptual challenge.
Compass-model physics on the hyperhoneycomb lattice in the extreme spin-orbit regime - Nature Communications
Abstract The physics of spin-orbit entangled magnetic moments of 4d and 5d transition metal ions on a honeycomb lattice has been much explored in the search for unconventional magnetic orders or quantum spin liquids expected for compass spin models, where different bonds in the lattice favour different orientations for the magnetic moments.
Designing giant Hall response in layered topological semimetals - Nature Communications
Abstract Noncoplanar magnets are excellent candidates for spintronics. However, such materials are difficult to find, and even more so to intentionally design. Here, we report a chemical design strategy that allows us to find a series of noncoplanar magnets—Ln3Sn7 (Ln = Dy, Tb)—by targeting layered materials that have decoupled magnetic sublattices with dissimilar single-ion anisotropies and combining those with a square-net topological semimetal sublattice.
Kitaev interactions through extended superexchange pathways in the $${j}_{{\mathsf{eff}}}=1/2$$ j eff = 1 / 2 Ru3+ honeycomb magnet RuP3SiO11 - Nature Communications
Abstract Magnetic materials are composed of the simple building blocks of magnetic moments on a crystal lattice that interact via magnetic exchange. Yet from this simplicity emerges a remarkable diversity of magnetic states. Some reveal the deep quantum mechanical origins of magnetism, for example, quantum spin liquid (QSL) states in which magnetic moments remain disordered at low temperatures despite being strongly correlated through quantum entanglement.
Trace benzene capture by decoration of structural defects in metal–organic framework materials - Nature Materials
Abstract Capture of trace benzene is an important and challenging task. Metal–organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti8O8(OH)4(BDC)6 where H2BDC is 1,4-benzenedicarboxylic acid).
Spin reorientation and the interplay of magnetic sublattices in Er2CuMnMn4O12
Through a combination of magnetic susceptibility, specific heat, and neutron powder diffraction measurements we have revealed a sequence of four magnetic phase transitions in the columnar quadruple perovskite Er2CuMnMn4O12. A key feature of the quadruple perovskite structural framework is the complex interplay of multiple magnetic sublattices via frustrated exchange topologies and competing magnetic anisotropies.
Magnetic property changes of NdGa upon hydrogen absorption
Rare earth monogallide (REGa) Zintl phases are attractive for their properties in hydrogen storage and magnetic cooling. However, the magnetic effects upon hydrogen additions in REGa are not well understood. This study aims to explore the magnetic effects in REGaHx using SQUID magnetometry and neutron powder diffraction. To avoid challenges due to absorption and high incoherent scattering in the neutron diffraction experiments, the compound NdGaDx (x = 0, 0.9, or 1.6) was chosen for examination.
Successive ferroelectric transitions induced by complex spin structures in $\mathrm{Mn}{\mathrm{Bi}}_{2}{\mathrm{S}}_{4}$
Our study reveals the emergence of ferroelectricity induced by incommensurate spin orders in the magnetic sulfide MnBi2S4, which has a HgBi2S4-type centrosymmetric monoclinic structure (C2/m). This compound reveals multiple magnetic transitions at TN1=27K, TN2=23K, and TN3=21.5K, associated with three distinct incommensurate spin structures (ICM1, ICM2, and ICM3).
MnCaTa2O7─A Magnetically Ordered Polar Phase Prepared via Cation Exchange
Download Hi-Res ImageDownload to MS-PowerPointCite This:Chem. Mater. 2023, XXXX, XXX Subhadip Mallick Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK , , Pascal Manuel ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, UK , Weiguo Zhang Department of Chemistry, University of Houston, 112 Fleming Building, Houston, Texas 77204-5003, United States , P.
Coexisting commensurate and incommensurate magnetic orders in the double double perovskite CaMnCoWO6
Abstract A new double double perovskite CaMnCoWO6 has been synthesised at high pressure. The structure is tetragonal (P42/n, a = 7.6651(3), c = 7.6822(3) Å) and disorder between A-site Mn2+ and B-site Co2+ leads to a Co-rich off-stoichiometric composition CaMn0.8Co1.2WO6. An unusual combination of commensurate and incommensurate spin orders (Mn-site spins with propagation vector (0.5 0.5 0.5) and Co-site spins with (0.5 0.42 0.5)) is observed below a magnetic transition at TC = 18 K.
CaFeFeNbO6 - an iron-based double double perovskite
CaFeFeNbO6 – an iron-based double double perovskite Kunlang Ji, Jessica Rae Bedward, Qitian Li, Pascal Manuel, Clemens Ritter and Paul Attfield Abstract Ordering of cations is important for controlling properties of ABO3 perovskites, and CaFeFeNbO6 is the first example of an Fe-based AA’BB’O6 double double perovskite, with Ca2+/Fe2+ ordered on A-site columns, and Fe3+/Nb5+ at the octahedral B-sites.
Room-Temperature Type-II Multiferroic Phase Induced by Pressure in Cupric Oxide
Abstract According to previous theoretical work, the binary oxide CuO can become a room-temperature multiferroic via tuning of the superexchange interactions by application of pressure. Thus far, however, there has been no experimental evidence for the predicted room-temperature multiferroicity. Here, we show by neutron diffraction that the multiferroic phase in CuO reaches 295 K with the application of 18.5 GPa pressure.
Preparation of iron(IV) nitridoferrate Ca4FeN4 through azide-mediated oxidation under high-pressure conditions
Abstract Transition metal nitrides are an important class of materials with applications as abrasives, semiconductors, superconductors, Li-ion conductors, and thermoelectrics. However, high oxidation states are difficult to attain as the oxidative potential of dinitrogen is limited by its high thermodynamic stability and chemical inertness.
In-Situ Observation of the Magnetocaloric Effect Through Neutron Diffraction in the Tb(DCO2)3 and TbODCO3 Frameworks
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Gapless spin-liquid state in the structurally disorder-free triangular antiferromagnet ${\mathrm{NaYbO}}_{2}$
Abstract We present a candidate material, NaYbO2, that realizes the genuine spin-liquid state on the triangular lattice and benchmarks recent theoretical predictions on the relevant spin models. Synchrotron x-ray diffraction and neutron scattering exclude both structural disorder and crystal-electric-field randomness. Our thermodynamic measurements, neutron diffraction, and muon spectroscopy coincidentally prove the absence of magnetic order and persistent spin dynamics down to at least 70 mK.
Ferromagnetic Ising Chains in Frustrated LnODCO3: The Influence of Magnetic Structure in Magnetocaloric Frameworks
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MnFe0.5Ru0.5O3: An Above-Room-Temperature Antiferromagnetic Semiconductor
X. Tan, E. McCabe, F. Orlandi, P. Manuel, M. Batuk, J. Hadermann, Z. Deng, C. Jin, I. Nowik, R. H. Herber, C. U. Segre, S. Liu, M. Croft, C. Kang, S. H. Lapidus, C. E. Frank , H. Padmanabhan , V. Gopalan , M. Wu, M. Li, M. Greenblatt, G. Kotliar and D. Walker, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC05059G If you are not the author of this article and you wish to reproduce material from it in a third party non-RSC publication you must formally request permission using Copyright Clearance Center.
Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework
The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/jacs.8b08504. Synthesis procedures, characterization, and additional analysis of crystal structures (PDF) Single crystal data of MFM-102-NO2 (CIF) Single crystal data of MFM-102-NH2 (CIF) Single crystal data of activated MFM-102-NO2 (CIF) Single crystal data of C2D2-loaded MFM-102-NO2 (CIF)
Isovalent Cation Ordering in the Polar Rhombohedral Perovskite Bi2FeAlO6
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Lock-in spin structures and ferrimagnetism in polar Ni2-xCoxScSbO6 oxides
The new phase Co2ScSbO6 and Ni2-xCoxScSbO6 solid solutions adopt the polar Ni3TeO6-type structure and order magnetically below 60 K. A series of long-period lock-in [0 0 1/3n] spin structures with n = 5, 6, 8 and 10 is discovered, coexisting with a ferrimagnetic [0 0 0] phase at high Co-contents. The presence of electrical polarisation and spontaneous magnetisations offers possibilities for multiferroic properties.
Magnetic ordering of the cryogenic magnetic cooling mineral gaudefroyite.
The mineral gaudefroyite, Ca Mn O (BO ) CO , contains chains of edge-linked MnO octahedra such that the Mn ions are located on a Kagomé lattice (perpendicular to the chains), which frustrates antiferromagnetic order. In the temperature range 6 – 24 K, small changes in magnetic field cause large entropy changes and give excellent magnetocaloric properties.
LaSr3NiRuO4H4: a 4d transition‐metal oxide‐hydride containing metal hydride sheets.
We report the synthesis of the first 4d transition metal oxide-hydride, LaSr3NiRuO4H4, prepared via topochemical anion exchange. Neutron diffraction data show that the hydride ions occupy the equatorial anion sites in the host lattice and as a result the Ru and Ni cations are located in a plane containing only hydride ligands - a unique structural feature with obvious parallels to the CuO2 sheets present in the superconducting cuprates.
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