0000000000010769

AUTHOR

Simon A. J. Kimber

showing 5 related works from this author

Spin-chain correlations in the frustrated triangular lattice material CuMnO$_2$

2020

The Ising triangular lattice remains the classic test-case for frustrated magnetism. Here we report neutron scattering measurements of short range magnetic order in CuMnO$_2$, which consists of a distorted lattice of Mn$^{3+}$ spins with single-ion anisotropy. Physical property measurements on CuMnO$_2$ are consistent with 1D correlations caused by anisotropic orbital occupation. However the diffuse magnetic neutron scattering seen in powder measurements has previously been fitted by 2D Warren-type correlations. Using neutron spectroscopy, we show that paramagnetic fluctuations persist up to $\sim$25 meV above TN= 65 K. This is comparable to the incident energy of typical diffractometers, a…

PhysicsCondensed matter physicsStrongly Correlated Electrons (cond-mat.str-el)MagnetismFOS: Physical sciences02 engineering and technologyNeutron scattering021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesNeutron spectroscopyCondensed Matter - Strongly Correlated ElectronsParamagnetism0103 physical sciencesAntiferromagnetismGeneral Materials ScienceIsing modelHexagonal lattice010306 general physics0210 nano-technologyAnisotropy
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Colossal Density-Driven Resistance Response in the Negative Charge Transfer Insulator MnS2

2021

A reversible density driven insulator to metal to insulator transition in high-spin MnS_{2} is experimentally observed, leading with a colossal electrical resistance drop of 10^{8}  Ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied S_{2}^{2-} σ_{3p}^{*} antibonding states crossing the Fermi level. This is a unique variant of the charge transfer insulator to metal transition for negative charge transfer insulators having anions with an unsaturated valence. By 36 GPa the emergence of the low-spin insulating arsenopyrite (P2_{1}/c) is confirmed, and the bulk metallicity is broken with the system returning to an insula…

Condensed Matter::Quantum GasesMaterials scienceValence (chemistry)Condensed matter physicsFermi levelGeneral Physics and AstronomyInsulator (electricity)Charge (physics)Antibonding molecular orbitalMetalCondensed Matter::Materials Sciencesymbols.namesakeElectrical resistance and conductancevisual_artsymbolsvisual_art.visual_art_mediumCondensed Matter::Strongly Correlated ElectronsDensity functional theoryPhysical Review Letters
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Real-Time Observation of “Soft” Magic-Size Clusters during Hydrolysis of the Model Metallodrug Bismuth Disalicylate

2021

International audience; Colloidal bismuth therapeutics have been used for hundreds of years, yet remain mysterious. Here we report an X-ray pair distribution function (PDF) study of the solvolysis of bismuth disalicylate, a model for the metallodrug bismuth subsalicylate (Pepto-Bismol). This reveals catalysis by traces of water, followed by multistep cluster growth. The ratio of the two major species, {Bi9O7} and {Bi38O44}, depends on exposure to air, time, and the solvent. The solution-phase cluster structures are of significantly higher symmetry in comparison to solid-state analogues, with reduced off-center Bi3+ displacements. This explains why such “magic-size” clusters can be both stab…

Cluster chemistrychemistry.chemical_element[CHIM.THER]Chemical Sciences/Medicinal Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysisBismuth subsalicylateBismuthlaw.inventionColloidColloid and Surface ChemistrylawCluster (physics)medicineOrganometallic Compounds[CHIM.COOR]Chemical Sciences/Coordination chemistryCrystallization010405 organic chemistryPair distribution functionGeneral ChemistrySalicylates0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographychemistrySolvolysisCrystallization ; Group theory ; Bismuth ; Cluster chemistry ; Metal clustersBismuthmedicine.drug
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Decoupling lattice and magnetic instabilities in frustrated CuMnO$_2$

2021

The $A$MnO$_{2}$ delafossites ($A$=Na, Cu), are model frustrated antiferromagnets, with triangular layers of Mn$^{3+}$~spins. At low temperatures ($T_{N}$=65 K), a $C2/m \rightarrow P\overline{1}$ transition is found in CuMnO$_2$, which breaks frustration and establishes magnetic order. In contrast to this clean transition, $A$=Na only shows short-range distortions at $T_N$. Here we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO$_2$. We show that, even in stoichiometric samples, non-zero anisotropic Cu displacements co-exist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures acts to decouple the…

Phase transitionCondensed matter physicsSpinsStrongly Correlated Electrons (cond-mat.str-el)010405 organic chemistryChemistryMagnetismmedia_common.quotation_subjectNeutron diffractionFrustrationFOS: Physical sciences010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCondensed Matter - Strongly Correlated ElectronsNegative thermal expansionDensity functional theoryCondensed Matter::Strongly Correlated ElectronsPhysical and Theoretical ChemistryAnisotropymedia_common
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A neutron tomography study: Probing the spontaneous crystallization of randomly packed granular assemblies

2018

We study the spontaneous crystallization of an assembly of highly monodisperse steel spheres under shaking, as it evolves from localized icosahedral ordering towards a packing reaching crystalline ordering. Towards this end, real space neutron tomography measurements on the granular assembly are carried out, as it is systematically subjected to a variation of frequency and amplitude. As expected, we see a presence of localized icosahedral ordering in the disordered initial state (packing fraction around 0.62). As the frequency is increased for both the shaking amplitudes (0.2 and 0.6 mm) studied here, there is a rise in packing fraction, accompanied by an evolution to crystallinity. The ext…

Materials scienceIcosahedral symmetrylcsh:MedicineFOS: Physical sciences02 engineering and technologyPhysics - Classical PhysicsCubic crystal systemCondensed Matter - Soft Condensed MatterAtomic packing factor01 natural sciencesArticlelaw.inventionCrystallinityTransition pointlaw0103 physical sciencesCrystallization010306 general physicslcsh:ScienceCondensed Matter - Statistical MechanicsMultidisciplinaryCondensed matter physicsStatistical Mechanics (cond-mat.stat-mech)lcsh:RClose-packing of equal spheresClassical Physics (physics.class-ph)021001 nanoscience & nanotechnologyAmplitudeSoft Condensed Matter (cond-mat.soft)lcsh:Q0210 nano-technologyScientific Reports
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