DIAD-Dual Imaging and Diffraction Beamline
I12-JEEP: Joint Engineering, Environmental and Processing
|
Franck P.
Vidal
,
Shaghayegh
Afshari
,
Sharif
Ahmed
,
Alberto
Albiol
,
Francisco
Albiol
,
Éric
Béchet
,
Alberto Corbí
Bellot
,
Stefan
Bosse
,
Simon
Burkhard
,
Younes
Chahid
,
Cheng-Ying
Chou
,
Robert
Culver
,
Pascal
Desbarats
,
Lewis
Dixon
,
Johan
Friemann
,
Amin
Garbout
,
Marcos
García-Lorenzo
,
Jean-François
Giovannelli
,
Ross
Hanna
,
Clémentine
Hatton
,
Audrey
Henry
,
Graham
Kelly
,
Christophe
Leblanc
,
Alberto
Leonardi
,
Jean Michel
Létang
,
Harry
Lipscomb
,
Tristan
Manchester
,
Bas
Meere
,
Claire
Michelet
,
Simon
Middleburgh
,
Radu P.
Mihail
,
Iwan
Mitchell
,
Liam
Perera
,
Martí
Puig
,
Malek
Racy
,
Ali
Rouwane
,
Hervé
Seznec
,
Aaron
Sújar
,
Jenna
Tugwell-Allsup
,
Pierre-Frédéric
Villard
Diamond Proposal Number(s):
[29820]
Open Access
Abstract: gVirtualXray (gVXR) is an open-source framework that relies on the Beer–Lambert law to simulate X-ray images in real time on a graphics processor unit (GPU) using triangular meshes. A wide range of programming languages is supported (C/C++, Python, R, Ruby, Tcl, C#, Java, and GNU Octave). Simulations generated with gVXR have been benchmarked with clinically realistic phantoms (i.e. complex structures and materials) using Monte Carlo (MC) simulations, real radiographs and real digitally reconstructed radiographs (DRRs), and X-ray computed tomography (XCT). It has been used in a wide range of applications, including real-time medical simulators, proposing a new densitometric radiographic modality in clinical imaging, studying noise removal techniques in fluoroscopy, teaching particle physics and X-ray imaging to undergraduate students in engineering, and XCT to masters students, predicting image quality and artifacts in material science, etc. gVXR has also been used to produce a high number of realistic simulated images in optimisation problems and to train machine learning algorithms. This paper presents a comprehensive review of such applications of gVXR.
|
Nov 2025
|
|
I16-Materials and Magnetism
|
Diamond Proposal Number(s):
[34820]
Open Access
Abstract: We present results of an experimental study on single crystals of a 5d
double perovskite Ba2CaReO6. Magnetization measurements reveal a weak splitting between zero-field-cooled and field-cooled protocols below 12 K. At magnetic fields above 1 T the splitting is absent and the magnetic susceptibility is featureless. A detailed specific heat study in a wide temperature range and comprising different heat pulses did not reveal any indication of a thermodynamic phase transition. At low temperatures we do observe specific heat deviating from a phonon background, leading to a total electronic entropy release of
. Resonant and non-resonant x-ray diffraction of characteristic Bragg peaks indicates a significant presence of disorder, potentially related to random tilts and rotations of rigid ReO6 octahedra.
|
Nov 2025
|
|
|
|
Sang-Kil
Son
,
Thomas M.
Baumann
,
Jacob
Pedersen
,
Laura
Budewig
,
Kai
Li
,
Hans
Ågren
,
Olle
Björneholm
,
Rebecca
Boll
,
John
Bozek
,
Carl
Caleman
,
Sebastian
Cardoch
,
Lucas M.
Cornetta
,
Alberto
De Fanis
,
Emiliano
De Santis
,
Simon
Dold
,
Gilles
Doumy
,
Ulrich
Eichmann
,
Xiaochun
Gong
,
Johan
Gråsjö
,
Alice E.
Green
,
Iyas
Ismail
,
Ludvig
Kjellsson
,
Eva
Lindroth
,
Tommaso
Mazza
,
Jacobo
Montaño
,
Terry
Mullins
,
Christian
Ott
,
Yevheniy
Ovcharenko
,
Thomas
Pfeifer
,
Maria
Novella Piancastelli
,
Ralph
Püttner
,
Nils
Rennhack
,
Nina
Rohringer
,
Cecilia
Sanchez-Hanke
,
Conny
Såthe
,
Philipp
Schmidt
,
Björn
Senfftleben
,
Marc
Simon
,
Nicuşor
Tîmneanu
,
Moto
Togawa
,
Kiyoshi
Ueda
,
Sergey
Usenko
,
Hans Jakob
Wörner
,
Weiqing
Xu
,
Zhong
Yin
,
Linda
Young
,
Joseph
Nordgren
,
Marcus
Agåker
,
Johan
Söderström
,
Sonia
Corian
,
Michael
Meyer
,
Robin
Santra
,
Jan-Erik
Rubensson
Open Access
Abstract: We report resonant inelastic x-ray scattering (RIXS) spectra of neon atoms interacting with intense x-ray pulses generated using an x-ray free-electron laser (XFEL). We find that an unexpected peak emerges near the 𝐾𝛼 line of Ne, which does not coincide with any physical resonances of neon ions. We perform theoretical calculations based on a quantum-state-resolved rate-equation approach with x-ray-induced processes including possible resonant excitations. Our dynamics simulations demonstrate that a sequence of multiple resonant photoabsorption events are involved and the interplay of those multiple resonances in combination with the relatively large spectral bandwidth of XFEL radiation leads to the emergent resonance-like structure at a position where no resonances exist. Our finding offers critical guidance for future applications of high-intensity RIXS at XFEL facilities.
|
Nov 2025
|
|
B23-Circular Dichroism
|
Leo
Delage-Laurin
,
David
Reger
,
Abdusalom A.
Suleymanov
,
Zachary
Nelson
,
Louis
Minion
,
Steven
Kooi
,
Jochen R.
Brandt
,
Giuliano
Siligardi
,
Robert P.
Cameron
,
Jessica
Wade
,
Timothy M.
Swager
,
Matthew J.
Fuchter
Diamond Proposal Number(s):
[29153, 31975, 33533]
Open Access
Abstract: Connections between magnetic field induced optical activity and chirality have a rich and complicated history. Although the broken inversion symmetry of chiral molecules generates ‘natural’ optical activity, magnetic optical activity is generated by breaking time reversal symmetry. Therefore, molecular chirality is not expected to influence magnetic optical phenomena, such as Faraday rotation. Here we show that the chiral supramolecular assembly of polymers can result in large Faraday effects (Verdet constants = 105 °T–1m–1). This strong Faraday rotation, which is amongst the highest value known for organic materials, originates from the so-called Faraday B term. Typically, B term Faraday responses are weak. We demonstrate large amplification through excitonic coupling within the supramolecular assembly, where the chirality of the system controls the assembly formed. These observations provide an alternative means to enhance the Faraday rotation of low symmetry systems and clarify the role of chirality in previous reported materials.
|
Nov 2025
|
|
I21-Resonant Inelastic X-ray Scattering (RIXS)
|
D.
Takegami
,
T.
Aoyama
,
T.
Okauchi
,
T.
Yamaguchi
,
S.
Tippireddy
,
S.
Agrestini
,
Mirian
Garcia-Fernandez
,
T.
Mizokawa
,
K.
Ohgushi
,
Ke-Jin
Zhou
,
J.
Chaloupka
,
J.
Kuneš
,
A.
Hariki
,
H.
Suzuki
Open Access
Abstract: X-ray magnetic circular dichroism provides a means to identify ferromagnetic, chiral, and altermagnetic orders via their time-reversal-symmetry (𝒯) breaking. However, the symmetry properties that govern circular dichroism (CD) in resonant inelastic x-ray scattering (RIXS) remain poorly understood. We show that, due to the inherent irreversibility of the RIXS process, RIXS-CD does not require 𝒯 breaking to be present, but reflects the change in unitary symmetries associated with magnetic ordering. Using the altermagnetic MnTe as a model system, we observe an azimuthal-angle dependent RIXS-CD signal in the magnon excitations. Our findings highlight the sensitivity of RIXS-CD to the relativistic symmetry in magnetic systems and its potential application as a probe of magnetic domains.
|
Nov 2025
|
|
Optics
|
Faiyaz
Mollick
,
Maheswar
Nayak
,
Ajay
Kumar Kashyap
,
Jitendra
Kumar
,
Arindam
Majhi
,
Nageswararao
Pothana
,
Parasmani
Rajput
,
Manoj
Kumar Tiwari
,
Sanjay
Kumar Rai
,
Manvendra
Narayan Singh
,
Archna
Sagdeo
Open Access
Abstract: The comprehensive structure, stress, and optical property correlation of high performance x-ray multilayer (ML) mirrors based on Mo/Si and W/B4C material systems is systematically investigated for hard x-ray applications in the 10–20 keV range. All MLs are deposited by magnetron sputtering with carefully tuned periodicities and number of layer pairs to optimize for either high photon flux or high spectral resolution. Structural properties are probed using x-ray reflectivity and diffuse scattering, while residual stress and crystallite characteristics of metallic layer are analyzed by grazing incidence x-ray diffraction. The Mo/Si MLs, with relatively large periods (∼6.53 and 9.43 nm), exhibit interlayer formation and demonstrate high reflectivity up to ∼92% along with very high integrated reflectivity, making them suitable for high-flux applications. In contrast, short and ultra-short period (∼3.74 and 1.85 nm) W/B4C MLs show sharp interfaces, supporting their use in high-resolution optics with relative energy resolution down to ∼1.2%.
|
Nov 2025
|
|
B16-Test Beamline
|
B.
Cline
,
D.
Banks
,
M.
Bishop
,
A.
Davis
,
J.
Harris
,
M.
Hart
,
S.
Knowles
,
T.
Nicholls
,
J.
Nobes
,
S.
Pradeep
,
M.
Roberts
,
M. C.
Veale
,
M. D.
Wilson
,
V. P.
Dhamgaye
,
O. J. L.
Fox
,
K. J. S.
Sawhney
,
S.
Scully
Diamond Proposal Number(s):
[36472]
Open Access
Abstract: In this paper, results are presented from the characterisation of a 2 mm thick Redlen Technologies high-flux-capable Cadmium Zinc Telluride (HF-CZT) sensor hybridised to the small-pixel, spectroscopic-imaging HEXITEC_MHz ASIC. Dynamic datasets were taken on the B16 Test Beamline at the Diamond Light Source to study a previously-identified 'excess-leakage-current' phenomenon in HF-CZT, where additional leakage current was temporarily generated upon the application of an X-ray flux. A study of the response of the detector as a function of X-ray intensity demonstrated a measurable excess leakage current signal above 105 ph s-1 mm-2. At a 20 keV flux of 7.81 × 106 ph s-1 mm-2, this effect contributed a signal equivalent to 3.79 ± 1.59 nA mm-2in addition to the expected photocurrent. On removal of X-rays at this flux, this excess leakage current took ∼ 10 s to decay below the noise floor of the detector. This long lifetime has implications for detectors required to operate at high frame rates and fluxes. The use of a small-pixel detector also allowed the spatial variation of this effect to be studied. A per-pixel comparison between the magnitude of the excess leakage current and the spectroscopic performance of the pixel showed no correlation. This suggests that the phenomenon is less likely to be a bulk-crystal effect and more likely the result of the properties of the CZT surface or metal/semiconductor interface. An Arrhenius analysis of the temperature-dependence of the dark and excess leakage currents in the detector yielded values of 0.69 ± 0.04 eV and 0.13 ± 0.01 eV respectively. The change in dark current with temperature is consistent with deep levels pinning the Fermi level close to the mid band gap, whilst the activation energy of the excess leakage current suggests shallower defects at the metal-semiconductor interface are responsible.
|
Oct 2025
|
|
I05-ARPES
|
Qun
Wang
,
Yifang
Jiang
,
Songyuan
Geng
,
Hanpu
Liang
,
Yunbo
Wu
,
Risi
Guo
,
Fangjie
Chen
,
Kangjie
Li
,
Xin
Wang
,
Bin
Cao
,
Keyu
An
,
Shengtao
Cui
,
Zhe
Sun
,
Mao
Ye
,
Zhengtai
Liu
,
Changming
Yue
,
Shiming
Lei
,
Haoxiang
Li
Abstract: Engineering narrow-bandgap semiconductors remains a pivotal challenge for next-generation electronic and energy devices. Charge density wave (CDW) systems offer a promising platform for bandgap engineering. However, most 2D and 3D CDW systems remain metallic despite exhibiting Fermi surface nesting. Here, a doping-dependent metal-insulator transition (MIT) with tunable bandgaps is reported in square-net materials GdSbxTe2-x-δ and a cooperative interaction between CDWs and vacancies that drives the MIT is discovered. Angle-resolved photoemission spectroscopy (ARPES) reveals the MIT in the low Sb-content regime of GdSbxTe2-x-δ, with a maximum energy gap of Δ ≈ 98 meV at x = 0.16, corroborated by electrical transport measurements. Following the MIT, X-ray diffraction reveals a doping-dependent shift of the CDW wavevector toward a commensurate structure with q = 0.25 a*, concurrent with the appearance of Te vacancies in the square-net layers. Density functional theory (DFT) calculations attribute the gap formation to the ordered Te vacancies modulated by the 4×1×1 CDW superstructure, which suppresses the electronic states near the Fermi level. Contrasting with the partial gap scenarios in conventional CDW systems, this synergy between the CDW and the vacancy stabilizes the insulating phase, offering a distinct avenue for narrow bandgap engineering in electronic materials.
|
Oct 2025
|
|
I09-Surface and Interface Structural Analysis
|
Wenjing
Xu
,
Hailing
Guo
,
Zhenni
Yang
,
Yihong
Chen
,
Xiangyu
Xu
,
Tien-Lin
Lee
,
Duanyang
Chen
,
Xinxin
Yu
,
Yuzheng
Guo
,
Zhaofu
Zhang
,
Hongji
Qi
,
Kelvin H. I.
Zhang
Diamond Proposal Number(s):
[37428]
Abstract: In this work, we investigate the electronic structure and interfacial band alignment of β-(Al𝑥Ga1−𝑥)2O3/Ga2O3 heterojunctions using a combination of synchrotron-based hard x-ray photoemission spectroscopy (HAXPES) and first-principles hybrid density functional theory calculations. β-(Al𝑥Ga1−𝑥)2O3 films with Al compositions of x = 0.12, 0.19, and 0.29 were grown on Fe-doped β-Ga2O3 (010) substrates via pulsed laser deposition. The band gap of β-(Al𝑥Ga1−𝑥)2O3 increases from (4.83 ± 0.05) eV (x = 0) to (5.37 ± 0.08) eV (x = 0.29), primarily driven by an upward shift of the conduction band edge due to hybridization between Al 3s and Ga 4s states, while the valence band edge exhibits a slight downward shift. Both experimental HAXPES data and theoretical calculations confirmed the formation of a “type I” (straddling) band alignment in the β-(Al𝑥Ga1−𝑥)2O3/Ga2O3 heterojunctions. For instance, at x = 0.29, the conduction band offset and valence band offset are approximately 0.33 and 0.21 eV, respectively. These findings provide valuable insights for designing modulation-doped β-(Al𝑥Ga1−𝑥)2O3/Ga2O3 heterostructures, enabling the realization of a two-dimensional electron gas and its application in high-frequency electronic devices.
|
Oct 2025
|
|
I11-High Resolution Powder Diffraction
|
Open Access
Abstract: The first reported phase in the Y2O3–NiO–TiO2 chemical space, the Y2NiTiO6 perovskite undergoes a temperature-induced order–disorder transition. Above ∼1700 K, it adopts the structure of a disordered CaTiO3-type orthorhombic perovskite with a = 5.26939(2), b = 5.60367(2), and c = 7.58137(3) Å, with the B site uniformly occupied by 0.5Ni+0.5Ti. Below this temperature, Y2NiTiO6 adopts rock-salt ordering of the transition metals in a monoclinic unit cell (a = 5.26695(2), b = 5.60164(2), c = 7.57493(2) Å, β = 90.4940(2)°) with 0.9/0.1 ordering of the B site. Ordering of Ni and Ti changes the magnetic properties from spin-glass behavior in the orthorhombic phase to antiferromagnetic order (TN = 17 K) for the monoclinic phase, while the optical properties of both phases remain unchanged across the transition.
|
Oct 2025
|
|