cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2410371
title: Copy of BaFeGaO4: a chiral, polar antiferromagnet

description: Designing non-centrosymmetric (including chiral, poplar) functional materials capable of long-range magnetic order is challenging and most research focuses on only a fairly small number of materials families. The stuffed tridymite family, named after the silicate mineral, includes a wide range a crystal structure symmetries compatible with a range of properties, and can often include magnetic ions. We've prepared an iron-containing material and are keen to use neutron diffraction to determine its crystal and magnetic structures.
DOI: 10.5286/isis.e.rb2410371-1
title: Copy of BaFeGaO4: a chiral, polar antiferromagnet

description: Designing non-centrosymmetric (including chiral, poplar) functional materials capable of long-range magnetic order is challenging and most research focuses on only a fairly small number of materials families. The stuffed tridymite family, named after the silicate mineral, includes a wide range a crystal structure symmetries compatible with a range of properties, and can often include magnetic ions. We've prepared an iron-containing material and are keen to use neutron diffraction to determine its crystal and magnetic structures.
DOI: 10.3535/8x0-tvg-rpd
title: Luzula DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/9wm-kr8-6jc
title: Philesia magellanica J.F.Gmel.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310184
title: Investigate phonon excitations in the strong magnetoelastic and magnetoelectric TbPO4

description: TbPO4 exhibits one of the strongest magnetoelectric (ME) coupling among bulk materials. This effect is intimately related to a substantial magnetoelastic coupling, revealed by our preliminary work. The large magnetoelastic effect and structural deformations characterizing the compound play a key role in developing such a strong ME effect. Previous studies suggest that TbPO4 crystal structure can easily distort, giving rise to soft phonon modes behavior. Yet the phonon spectra of TbPO4 remain uninvestigated with neutron spectroscopy and modern DFT methods. Here, we propose to study the phonon spectra on MERLIN, with a special focus on the crossing point of phonon modes with crystal electric field levels. At these points, we expect to see the footprint of the very large magnetoelastic coupling. The result will contribute to understanding the mechanism behind both the magnetoelastic and magnetoelectric effects. We started a DFT calculation and the neutron data are essential to elucidate the phonons dispersion spectrum and deepen the DFT calculations.
DOI: 10.5286/isis.e.rb2420304
title: Deciphering the Anionic Redox Process in Li-rich Oxysulfide Cathodes for Li-ion Batteries using Neutron PDF

description: The energy density of conventional Li-ion batteries can be greatly improved by storing charge through the oxidation of anion ions in the cathode materials, like in Li-rich oxides and Li-rich sulfide. However, oxidizing O2- leads to irreversible oxygen gas evolution, voltage fade and sluggish kinetics, while S2- oxidation suffers from the lower redox potential itself. Instead, designing the dual-anion Li-rich oxysulfides, such as Li2FeSO, through combing the energy advantage of oxygen ligand (O2-) with the stability of sulfide ligand (S2-), offers a whole new chemical space to explore high energy density cathode materials. However, in the Li-rich oxysulfide cathodes, the fundamental structure evolution during anion redox remains poorly understood, and whether O2- oxidation contributes to capacity and the nature of oxidized S2- are still under debate. This proposal aims to apply neutron total scattering and pair distribution function (PDF) to study the local atomic structure of the charged Li-rich oxysulfide occurring during S-redox, including the coordination environment evolution of Li/Fe/Mn, any formation of the amorphous/nanostructured phases, and dimer species (eg. S-S dimer, O-O dimer) as localised ‘defect’ states. This study will allow us uncover the anionic redox process in Li-rich oxysulfide and provide the foundation towards exploring the new high-energy battery materials with dual anion ligands.
DOI: 10.5286/isis.e.rb2420304-1
title: Deciphering the Anionic Redox Process in Li-rich Oxysulfide Cathodes for Li-ion Batteries using Neutron PDF

description: The energy density of conventional Li-ion batteries can be greatly improved by storing charge through the oxidation of anion ions in the cathode materials, like in Li-rich oxides and Li-rich sulfide. However, oxidizing O2- leads to irreversible oxygen gas evolution, voltage fade and sluggish kinetics, while S2- oxidation suffers from the lower redox potential itself. Instead, designing the dual-anion Li-rich oxysulfides, such as Li2FeSO, through combing the energy advantage of oxygen ligand (O2-) with the stability of sulfide ligand (S2-), offers a whole new chemical space to explore high energy density cathode materials. However, in the Li-rich oxysulfide cathodes, the fundamental structure evolution during anion redox remains poorly understood, and whether O2- oxidation contributes to capacity and the nature of oxidized S2- are still under debate. This proposal aims to apply neutron total scattering and pair distribution function (PDF) to study the local atomic structure of the charged Li-rich oxysulfide occurring during S-redox, including the coordination environment evolution of Li/Fe/Mn, any formation of the amorphous/nanostructured phases, and dimer species (eg. S-S dimer, O-O dimer) as localised ‘defect’ states. This study will allow us uncover the anionic redox process in Li-rich oxysulfide and provide the foundation towards exploring the new high-energy battery materials with dual anion ligands.
DOI: 10.3535/k32-km4-waq
title: Philesia magellanica J.F.Gmel.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/txw-ghm-wz5
title: Lysimachia Tourn. ex L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410703-1
title: Neutron diffraction in a novel a triangular lattice antiferromagnet MnSnB2O6

description: The subtle interplay between competing degrees of freedom and frustration induced quantum fluctuations can lead to novel states in quantum materials. Quantum spin liquid (QSL) is a highly entangled state of matter that lacks magnetic order, despite strong interactions between magnetic moments and offer an ideal platform to host exotic fractional excitations. Unfortunately, anti-site disorder and defects place major constraints on the realization of ideal QSLs in real materials. Triangular lattice antiferromagnet (TLAFM) offers the simplest archetype for realizing QSL state in frustrated magnets. Here, we focus on a novel TLAFM MnSnB2O6, wherein Mn2+ ions constitute a perfect two-dimensional lattice. Our thermodynamic results don’t show any signature of magnetic ordering or spin-freezing down to 1.9 K. Our recent zero field μSR experiment at ISIS (RB 2220694) reveals a signature of magnetic ordering below 1.2 K, which need further investigation We propose to carry out neutron powder diffraction measurements on the WISH instrument at sub-kelvin temperatures with aim to verify the magnetic order. The proposed measurements should enable us to unveil the exact magnetic structure and any short-range spin correlations developing in this material at low temperatures via diffuse neutron scattering.
DOI: 10.5286/isis.e.rb2420344
title: Multi-responsive microgels of PNIPAM and Poly(acrylic) acid: simultaneous structure and dynamics

description: We propose to investigate a temperature and pH responsive microgel composed of Interpenetrating Polymer
Networks (IPN) of poly(N-isopropylacrylamide) (PNIPAM) and Poly(acrylic) acid (PAAc). Our group has investigated the
behaviour of both PNIPAM and IPN microgels as a function of temperature, concentration, pH and acrylic acid content,
by combining DLS, XPCS, SANS, SAXS, TEM, Raman and IR spectroscopy, rheology, calorimetry and electrophoretic
measurements. Using the new portable DLS-SANS apparatus we have pioneered and recently made available at ISIS
we have very recently successfully explored the simultaneous evolution of the dynamics and the structure of the
system approaching the glass transition. We want now correlate the softness of the system (that we can change ad
hoc through the PAAc content) with the corresponding evolution of the dynamics and the structure simultaneously
measured through the DLS-SANS setup. This will allow us to attain a better understanding of the differences between
colloidal and structural glasses.
DOI: 10.5286/isis.e.rb2420344-1
title: Multi-responsive microgels of PNIPAM and Poly(acrylic) acid: simultaneous structure and dynamics

description: We propose to investigate a temperature and pH responsive microgel composed of Interpenetrating Polymer
Networks (IPN) of poly(N-isopropylacrylamide) (PNIPAM) and Poly(acrylic) acid (PAAc). Our group has investigated the
behaviour of both PNIPAM and IPN microgels as a function of temperature, concentration, pH and acrylic acid content,
by combining DLS, XPCS, SANS, SAXS, TEM, Raman and IR spectroscopy, rheology, calorimetry and electrophoretic
measurements. Using the new portable DLS-SANS apparatus we have pioneered and recently made available at ISIS
we have very recently successfully explored the simultaneous evolution of the dynamics and the structure of the
system approaching the glass transition. We want now correlate the softness of the system (that we can change ad
hoc through the PAAc content) with the corresponding evolution of the dynamics and the structure simultaneously
measured through the DLS-SANS setup. This will allow us to attain a better understanding of the differences between
colloidal and structural glasses.
DOI: 10.34816/ifao.archives.232891
title: SAQQARA_nb_1994_03371

description: Référence : nb_1994_03371<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/mm6-0m4-33k
title: Primula farinosa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2270025-1
title: MuSR study of the magnetic states in the perovskite and infinite-layer nickelates

description: The aim of this study is to clarify the magnetic ground state of the perovskite nickelate La1-xCaxNiO3 and infinite-layer nickelate La1-xCaxNiO2. Recently, it has been reported that the perovskite LaNiO3, which has been believed to be a strongly correlated nonmagnetic metal, exhibits an antiferromagnetic (AF) order. Using hole-doped La1-xCaxNiO3 samples prepared by our new method, we clarify whether the AF order/fluctuations exist in these samples, leading to the possible AF-fluctuation-mediated superconductivity in the perovskite nickelates. For the infinite-layer nickelate, we clarify the magnetic states of La1-xCaxNiO2 prepared by the low-temperature reduction using CaH2. This study would make progress to understand the relationship between the recently observed superconductivity and magnetism in the infinite-layer nickelates.
DOI: 10.5286/isis.e.rb2410703
title: Neutron diffraction in a novel a triangular lattice antiferromagnet MnSnB2O6

description: The subtle interplay between competing degrees of freedom and frustration induced quantum fluctuations can lead to novel states in quantum materials. Quantum spin liquid (QSL) is a highly entangled state of matter that lacks magnetic order, despite strong interactions between magnetic moments and offer an ideal platform to host exotic fractional excitations. Unfortunately, anti-site disorder and defects place major constraints on the realization of ideal QSLs in real materials. Triangular lattice antiferromagnet (TLAFM) offers the simplest archetype for realizing QSL state in frustrated magnets. Here, we focus on a novel TLAFM MnSnB2O6, wherein Mn2+ ions constitute a perfect two-dimensional lattice. Our thermodynamic results don’t show any signature of magnetic ordering or spin-freezing down to 1.9 K. Our recent zero field μSR experiment at ISIS (RB 2220694) reveals a signature of magnetic ordering below 1.2 K, which need further investigation We propose to carry out neutron powder diffraction measurements on the WISH instrument at sub-kelvin temperatures with aim to verify the magnetic order. The proposed measurements should enable us to unveil the exact magnetic structure and any short-range spin correlations developing in this material at low temperatures via diffuse neutron scattering.
DOI: 10.5286/isis.e.rb2490307-1
title: Ammonia in PTI
DOI: 10.3535/1c6-bzd-85f
title: Lysimachia Tourn. ex L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zgh-7nv-zyn
title: Salix cordata Michx.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2270025
title: MuSR study of the magnetic states in the perovskite and infinite-layer nickelates

description: The aim of this study is to clarify the magnetic ground state of the perovskite nickelate La1-xCaxNiO3 and infinite-layer nickelate La1-xCaxNiO2. Recently, it has been reported that the perovskite LaNiO3, which has been believed to be a strongly correlated nonmagnetic metal, exhibits an antiferromagnetic (AF) order. Using hole-doped La1-xCaxNiO3 samples prepared by our new method, we clarify whether the AF order/fluctuations exist in these samples, leading to the possible AF-fluctuation-mediated superconductivity in the perovskite nickelates. For the infinite-layer nickelate, we clarify the magnetic states of La1-xCaxNiO2 prepared by the low-temperature reduction using CaH2. This study would make progress to understand the relationship between the recently observed superconductivity and magnetism in the infinite-layer nickelates.
DOI: 10.5286/isis.e.rb2420242
title: Magnetic structure of new ordered honeycomb compounds MPtI6 (M = Fe, Co, Ni)

description: We aim to analyze magnetic structure of new layered honeycomb compounds MPtI6 (M = Fe, Co Ni). In MPtI6, M2+ and nonmagnetic Pt4+ ions form BN-type ordered arrangement, which results in a triangular lattice of M2+ ions. All MPtI6 show antiferromagnetic order at low temperatures. MPtI6 are expected to possess unconventional magnetic interaction due to spin-orbital entanglement of M2+ ions and strong spin-orbit coupling of iodine. The analysis of magnetic structure should provide us with insights into the underlying magnetic interactions. We propose to perform neutron diffraction measurements on the three MPtI6 sample at WISH and request 2days beamtime.
DOI: 10.5286/isis.e.rb2420242-1
title: Magnetic structure of new ordered honeycomb compounds MPtI6 (M = Fe, Co, Ni)

description: We aim to analyze magnetic structure of new layered honeycomb compounds MPtI6 (M = Fe, Co Ni). In MPtI6, M2+ and nonmagnetic Pt4+ ions form BN-type ordered arrangement, which results in a triangular lattice of M2+ ions. All MPtI6 show antiferromagnetic order at low temperatures. MPtI6 are expected to possess unconventional magnetic interaction due to spin-orbital entanglement of M2+ ions and strong spin-orbit coupling of iodine. The analysis of magnetic structure should provide us with insights into the underlying magnetic interactions. We propose to perform neutron diffraction measurements on the three MPtI6 sample at WISH and request 2days beamtime.
DOI: 10.21233/n36j6p
title: Pelly Bay pollen surface sample dataset

description: Raw data for the Pelly Bay pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.34816/ifao.archives.232892
title: SAQQARA_nb_1994_03372

description: Référence : nb_1994_03372<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/af5-1e4-8mx
title: Rumex hydrolapathum (Scop.) Huds.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/dm2-eh0-0c4
title: Hypericum perforatum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420221-1
title: Elucidation of site-selective doping in heteropolynuclear lanthanide cluster aggregates

description: Lanthanide upconversion (UC) converts two low energy photons into emission of a single high-energy photon - for example using Yb donors and a Tb acceptor - which has applications in new types of medical imaging and energy harvesting. One crucial aspect of UC involves the ion-ion distances and distribution, which governs the efficacy of the energy transfer step. The use of single-crystal neutron diffraction will allow determination of the site-selective doping which occurs in heteropolynuclear clusters, which will permit mathemetical modelling and interogation of the mechanism in this poorly understood phenomenon.
DOI: 10.5286/isis.e.rb2420458
title: Observation of crystal electric field (CEF) excitation of a rare-earth-based FCC compound Ba2YbNbO6

description: The quantum spin liquid (QSL) is an exotic state of matter. The Kitaev model is exactly solvable and has QSL as a ground state. However, there are very few rare-earth-based compounds that host Kitaev exchange interaction. We have successfully synthesized an FCC compound Ba2YbNbO6, which was proposed to be a Kitaev-type material. Detailed magnetic characterization indicates no long-range magnetic ordering down to 350 mK. Thus, to elucidate the mechanism of the magnetic ground state in this material, information about CEF splitting of the Yb3+ Kramer's ion is necessary, and hence, INS experiments are mandatory.
DOI: 10.5286/isis.e.rb2420458-1
title: Observation of crystal electric field (CEF) excitation of a rare-earth-based FCC compound Ba2YbNbO6

description: The quantum spin liquid (QSL) is an exotic state of matter. The Kitaev model is exactly solvable and has QSL as a ground state. However, there are very few rare-earth-based compounds that host Kitaev exchange interaction. We have successfully synthesized an FCC compound Ba2YbNbO6, which was proposed to be a Kitaev-type material. Detailed magnetic characterization indicates no long-range magnetic ordering down to 350 mK. Thus, to elucidate the mechanism of the magnetic ground state in this material, information about CEF splitting of the Yb3+ Kramer's ion is necessary, and hence, INS experiments are mandatory.
DOI: 10.3535/g2v-7g6-dxx
title: Rumex verticillatus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qfs-4bm-dqm
title: Commelina diffusa subsp. diffusa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410396-2
title: Development of interfacial models to understand preservation through neutron reflection

description: The aim of this project is to understand how such surface-active preservative actives work and how additional surface-active molecules could help boost their biocidal efficacy. This project is part of our ongoing collaboration to apply neutron and X-ray techniques to improve our understanding of antimicrobial efficacy and dynamic killing, however it will be the first to explore preservative actives. Neutron reflection is about the only technique that can help unravel structural information at the molecular and membrane levels about how preservatives interact with microbial membranes, with and without booster molecules. Model lipid membrane systems will be developed to aid the determination of the structure and composition of the interfacial films when the boosters, bioactive and their representative mixtures interact with the lipid models mimicking different microbial membranes. This work should require 3 days of beam time.
DOI: 10.5286/isis.e.rb2420221
title: Elucidation of site-selective doping in heteropolynuclear lanthanide cluster aggregates

description: Lanthanide upconversion (UC) converts two low energy photons into emission of a single high-energy photon - for example using Yb donors and a Tb acceptor - which has applications in new types of medical imaging and energy harvesting. One crucial aspect of UC involves the ion-ion distances and distribution, which governs the efficacy of the energy transfer step. The use of single-crystal neutron diffraction will allow determination of the site-selective doping which occurs in heteropolynuclear clusters, which will permit mathemetical modelling and interogation of the mechanism in this poorly understood phenomenon.
DOI: 10.34816/ifao.archives.232893
title: SAQQARA_nb_1994_03373

description: Référence : nb_1994_03373<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/vys-pb4-2wy
title: Commelina virginica L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410096
title: Magnetic-field-induced quantum spin liquid state in Jeff = 1/2 XY-spin rhombic lattice antiferromagnet

description: We propose a high LF-μSR measurement on HiFi to investigate the spin dynamics of a Jeff = 1/2 XY-spin rhombic lattice antiferromagnet KCoPO4•H2O. Preliminary µSR results at J-PARC suggest the possibility of realizing a field-induced quantum spin liquid (QSL) state. At J-PARC, only a longitudinal field (LF) of up to 0.4 T, which is lower than the phase transition field (Hc ~ 1 T), can be applied. In this experiment, we first would like to investigate the LF dependence of the muon relaxation rate from 0 T to 3 T at a temperature lower enough than the magnetic transition temperature TN = 2.8K. We believe that the information of the relaxation rate at high fields provides evidence that the field-induced QSL is realized in this compound. The goal is to complete the magnetic field-temperature phase diagram.
DOI: 10.5286/isis.e.rb2410096-1
title: Magnetic-field-induced quantum spin liquid state in Jeff = 1/2 XY-spin rhombic lattice antiferromagnet

description: We propose a high LF-μSR measurement on HiFi to investigate the spin dynamics of a Jeff = 1/2 XY-spin rhombic lattice antiferromagnet KCoPO4•H2O. Preliminary µSR results at J-PARC suggest the possibility of realizing a field-induced quantum spin liquid (QSL) state. At J-PARC, only a longitudinal field (LF) of up to 0.4 T, which is lower than the phase transition field (Hc ~ 1 T), can be applied. In this experiment, we first would like to investigate the LF dependence of the muon relaxation rate from 0 T to 3 T at a temperature lower enough than the magnetic transition temperature TN = 2.8K. We believe that the information of the relaxation rate at high fields provides evidence that the field-induced QSL is realized in this compound. The goal is to complete the magnetic field-temperature phase diagram.