Elucidation of local structure deformation in κ−(BEDT−TTF)2Cu[N(CN)

Development of serial X-ray fluorescence holography for radiation-sensitive protein crystals

“…Until now, the effects of atomic fluctuations have been introduced into the hologram calculations by introducing a distribution of the atomic positions in the atomic model used in the calculations. This can include random Gaussian distributions in the atomic positions (Hayashi et al, 2014;Hosokawa et al, 2013;Kimura et al, 2020) or, alternatively, using atomic positions extracted from molecular dynamics simulations (Ang et al, 2021). Although these are good approximations that can result in the adequate reproduction of the atomic reconstruction, using a DWF or damping term directly in the hologram calculation is a simpler and more direct way to calculate the hologram pattern.…”

“…Recently, clear atomic reconstruction was obtained and interpreted from XFH experiments on the organic superconductor -(BEDT-TTF) 2 Cu[N(CN) 2 ]Br or -Br (Ang et al, 2021). -Br is an organic charge-transfer salt that is widely studied in strongly correlated electron physics, where an Anderson-type metal-insulator transition is induced by the introduction of random defects by X-ray irradiation (Sano et al, 2010).…”

“…To date, all bioXFH experiments reported have been performed using the bioXFH apparatus, in which the angular dependence of the fluorescent X-rays is recorded as the sample is rotated point-by-point along the polar and azimuthal angles, taking several hours to record a full hologram pattern (Sato-Tomita et al, 2016Ang et al, 2021). For more robust crystals like hemoglobin or myoglobin, cooling the sample to 100 K and controlling the photon flux enable collection of the hologram pattern before the onset of radiation-induced global damage.…”

Local Structural Investigation of (Ba,Ca)(Zr,Ti)O3 and Ca(Zr,Ti)O3 by X‐Ray Fluorescence Holography

“…[10,11] This technique has been used by many researchers in fields ranging from inorganic materials to protein crystallography because it enables the acquisition of 3D local structures without prior modeling. [12][13][14][15] In particular, it is possible to measure aperiodic systems such as dopants, whose 3D structures cannot be measured by conventional diffraction techniques. [16][17][18][19] In BCZT, Ca and Zr are the A-and B-site dopant elements, respectively, to the original material BaTiO 3 (BTO), and the investigation of local structure around each specific dopant element is important in understanding the effects of doping on the macroscopic electromechanical properties.…”

“…[ 10,11 ] This technique has been used by many researchers in fields ranging from inorganic materials to protein crystallography because it enables the acquisition of 3D local structures without prior modeling. [ 12–15 ] In particular, it is possible to measure aperiodic systems such as dopants, whose 3D structures cannot be measured by conventional diffraction techniques. [ 16–19 ]…”