A5014211624- X-ray Diffraction in Crystallography
- High-pressure geophysics and materials
- Crystallization and Solubility Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced Condensed Matter Physics
- Magnetism in coordination complexes
- Crystallography and molecular interactions
- Glass properties and applications
- Organic and Molecular Conductors Research
- 2D Materials and Applications
- Material Dynamics and Properties
- Crystal Structures and Properties
- Metallic Glasses and Amorphous Alloys
- Topological Materials and Phenomena
- Boron and Carbon Nanomaterials Research
- Ferroelectric and Piezoelectric Materials
- Diamond and Carbon-based Materials Research
- Thermal Expansion and Ionic Conductivity
- Inorganic Fluorides and Related Compounds
- Rare-earth and actinide compounds
- Nuclear Materials and Properties
- Advanced ceramic materials synthesis
- Physics of Superconductivity and Magnetism
- Graphene research and applications
- Metal and Thin Film Mechanics
Diamond Light Source
2016-2025
Diamond Materials (United States)
2022
Didcot Community Hospital
2018-2019
Military University of Technology in Warsaw
2018
Mary Lyon Centre at MRC Harwell
2018
University of Cambridge
2018
University College London
2005-2013
Royal Institution of Great Britain
2006
The influence of the microstructure on ionic conductivity and cell performance is a topic broad scientific interest in solid-state batteries. current understanding that interfacial decomposition reactions during cycling induce local strain at interfaces between solid electrolytes anode/cathode, as well within electrode composites. Characterizing effects internal ion transport particularly important, given significant chemomechanical caused by volumetric changes active materials cycling....
Two-dimensional materials have proven to be a prolific breeding ground of new and unstudied forms magnetism unusual metallic states, particularly when tuned between their insulating phases. In this paper we present work on metal insulator transition system FePS$_3$ . This compound is two-dimensional van-der-Waals antiferromagnetic Mott insulator. Here report the discovery an insulator-metal in FePS$_3$, as evidenced by x-ray diffraction electrical transport measurements, using high pressure...
The mechanically-induced transformation behaviour of the metastable austenite phase in a high-strength industrial TRIP-assisted Dual Phase steel was monitored situ using high-energy synchrotron diffraction under uniaxial loading. This allowed direct quantification impact (16 vol %), embedded ferrite-bainite-martensite matrix, on work hardening this steel. Our results show that mechanically induced does not begin until onset matrix yielding. We provide experimental evidence which demonstrates...
The incorporation of defects into crystalline materials provides an important tool to fine-tune properties throughout various fields science. We performed high-pressure powder X-ray diffraction experiments, varying pressures from ambient 0.4 GPa in 0.025 increments probe the response defective UiO-66 hydrostatic pressure for first time. observe onset amorphization samples around 0.2 and decreasing bulk modulus as a function defects. Intriguingly, observed moduli UiO-66(Zr) do not correlate...
Zeolitic imidazolate frameworks with <bold>cag</bold> topology switch between an open and a closed phase in response to mechanical pressure.
Phase transitions in the liquid state can be related to pressure-driven fluctuations developed density (i.e., inverse of molar volume; ρ = 1/V) or entropy (S(T)) rather than by gradients chemical potential (μ(X), where X is composition). Experiments and simulation studies now show that such are likely exist within systems with a wide range bonding types. The observations permit us complete trilogy expected responses changes P T as well μ(X), case among crystalline solids. Large...
A low- to high-density pressure-driven phase transition in amorphous silicon is investigated by synchrotron x-ray diffraction the diamond anvil cell. Complementary atomistic molecular dynamics computer simulations provide insight into underlying structural transformations and allow us interpret structure factors obtained from experiment. During compression form of scattering function $S(Q)$ changes abruptly at $13.5\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, indicating significant...
The high-pressure behavior of elemental Sn has been studied by angle-dispersive synchrotron x-ray diffraction up to 138 GPa under quasihydrostatic conditions at room temperature. data confirm the occurrence a first-order phase transition 10.8 between $\ensuremath{\beta}$-Sn (Sn-II) ($I{4}_{1}/amd$) and further body-centered-tetragonal polymorph ($\ensuremath{\gamma}$-Sn or Sn-III) ($I4/mmm$). Above 32 GPa, this exhibits distortion into new body-centered-orthorhombic (bco) modification...
We present an overview of our recent work in tuning and controlling the structural, magnetic electronic dimensionality 2D van-der-Waals antiferromagnetic compounds (Transition-Metal)PS3. Low-dimensional systems such as these provide rich opportunities for studying new physics evolution established behaviours with changing dimensionality. These materials can be exfoliated to monolayer thickness easily stacked combined into functional heterostructures. Alternatively, application hydrostatic...
High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of topological electron density electronic localization function, evidence presence an isostructural phase transition around 2 GPa, a Fermi resonance 3.5 pressure-induced decomposition SnSb2Te4 into high-pressure phases its parent binary compounds (α-Sb2Te3 SnTe) above 7 GPa. The internal polyhedral compressibility, behavior Raman-active modes,...
Flexible metal-organic frameworks (MOFs) show large structural flexibility as a function of temperature or (gas)pressure variation, fascinating property high technological and scientific relevance. The targeted design flexible MOFs demands control over the macroscopic thermodynamics determined by microscopic chemical interactions remains an open challenge. Herein we apply high-pressure powder X-ray diffraction molecular dynamics simulations to gain insight into factors that determine two...
Localised fluctuation in residual stress distribution for direct energy deposited 316L stainless steel thin plate was revealed through high-energy synchrotron X-ray diffraction. The macroscopic levels are changed steadily across the article according to characteristic cooling rates, as implied by measured dendrite arm lengths. fluctuations of length scale, between 500 and 600 µm, coincides well with morphological variations solidification microstructure that formed during deposition....
Jahn–Teller (JT) distorted Cu II -containing compounds often display interesting structural and functional behaviour upon compression.
Resistively heated diamond-anvil cells have been used together with synchrotron x-ray diffraction to investigate the phase diagram of calcium up 50 GPa and 800 K. The boundaries between Ca-I (fcc), Ca-II (bcc), Ca-III (simple cubic, sc) phases determined at these pressure-temperature conditions, ambient temperature equation state has generated. parameters from experimental compression curve observed by using third-order Birch-Murnaghan Vinet equations. A thermal was also for combining...
Abstract Low dimensionality and high flexibility are key demands for flexible electronic semiconductor devices. SnIP, the first atomic‐scale double helical combines structural anisotropy robustness with exceptional properties. The benefit of helix, combined a diverse structure on nanoscale, ranging from strong covalent bonding to weak van der Waals interactions, large property offer substantial potential applications in energy conversion water splitting. It represents next logical step...
Abstract The MPX 3 family of magnetic van-der-Waals materials (M denotes a first row transition metal and X either S or Se) are currently the subject broad intense attention for low-dimensional magnetism transport also novel device technological applications, but vanadium compounds have until this point not been studied beyond their basic properties. We present observation an isostructural Mott insulator–metal in honeycomb antiferromagnet V 0.9 PS through high-pressure x-ray diffraction...
The vast compositional space of Prussian blue analogues (PBAs), formula AxM[M′(CN)6]y·nH2O, allows for a diverse range functionality. Yet, the interplay between composition and physical properties—e.g., flexibility propensity phase transitions—is still largely unknown, despite its fundamental industrial relevance. Here we use variable-pressure X-ray neutron diffraction to explore how key structural features, i.e., defects, hydration, composition, influence compressibility behavior PBAs....
We studied the low-frequency Raman and X-ray scattering behavior of amorphous silicon (a-Si) at high pressure throughout range where density-driven polyamorphic transformation between low-density (LDA) semiconductor a novel metallic high-density (HDA) polyamorph occurs. The experimental data were analyzed with aid molecular dynamics (MD) simulations using Stillinger–Weber potential. heat capacity a-Si obtained from low exhibits non Debye-like behavior, but effect is small, our support...
The melting curve of Sn initially rises steeply as a function pressure but exhibits decrease in slope ($d{T}_{m}/dP$) above 40 GPa to become nearly flat 50 GPa. Previous studies have argued that body-centered tetragonal (bct) cubic (bcc) phase transition occurs this range at room temperature. However, our investigations shown the behavior is more complex region with orthorhombic (bco) splitting reflections occurring x-ray diffraction pattern 32 and coexisting signatures bco bcc structures...
The effect of pressure and temperature on the unit-cell volume NaF has been measured by X-ray powder diffraction at ambient between 12 300 K neutron up to 5 GPa 140 350 K. These data have combined with high-pressure 950 25 adiabatic bulk modulus 650 define an equation state for relating molar both pressure. model combines a fourth-order Birch–Murnaghan 295 Mie–Grüneisen–Debye thermal parameters set are as follows: reference V 0 = 14.9724 (5) cm 3 mol −1 , isothermal T 46.79 (14) GPa, first...