# FS-PE

 2018-10-1608:19 [PUBDB-2018-03803] Journal Article et al Flexible sample cell for real-time GISAXS, GIWAXS and XRR: design and construction 2018-10-1602:12 [PUBDB-2018-03802] Journal Article et al Magnetron-sputtered copper nanoparticles: lost in gas aggregation and found by in situ X-ray scattering Nanoscale 10(38), 18275 - 18281 (2018) [10.1039/C8NR06155F]   Magnetron discharge in a cold buffer gas represents a liquid-free approach to the synthesis of metal nanoparticles (NPs) with tailored structure, chemical composition and size. Despite a large number of metal NPs that were successfully produced by this method, the knowledge of the mechanisms of their nucleation and growth in the discharge is still limited, mainly because of the lack of in situ experimental data. [...] External link: Fulltext 2018-10-1515:47 [PUBDB-2018-03800] Journal Article et al On avoiding negative electron density in Gram-Charlier refinements of anharmonic motion: the example of glutathione Zeitschrift für Kristallographie / Crystalline materials 233(9-10), 695 - 706 (2018) [10.1515/zkri-2018-2060]   The structure of glutathione, γ-l-Glutamyl-l-cysteinyl-glycine (C$_{10}$H$_{17}$N$_3$O$_6$S), was studied by multi-temperature single-crystal X-ray diffraction. Residual density maps from conventional independent atom model refinement gave indication of anharmonic motion in the molecule [...] 2018-10-1515:25 [PUBDB-2018-03797] Journal Article et al Approaching Ferrite-Based Exchange-Coupled Nanocomposites as Permanent Magnets ACS applied nano materials 1(7), 3693 - 3704 (2018) [10.1021/acsanm.8b00808]   During the past decade, CoFe$_{2}$O$_4$ (hard)/Co–Fe alloy (soft) magnetic nanocomposites have been routinely prepared by partial reduction of CoFe$_{2}$O$_4$ nanoparticles. Monoxide (i.e., FeO or CoO) has often been detected as a byproduct of the reduction, although it remains unclear whether the formation of this phase occurs during the reduction itself or at a later stage [...] Fulltext: PDF PDF (PDFA); Restricted: PDF PDF (PDFA); 2018-10-1414:42 [PUBDB-2018-03783] Journal Article et al Photoionization of metastable heliumlike $C^{4+}$($1s\,2s\; ^3S_ 1)$ ions: Precision study of intermediate doubly excited states Physical review / A 98(3), 033416 (2018) [10.1103/PhysRevA.98.033416]   In a joint experimental and theoretical endeavor, photoionization of metastable $C^{4+}$($1s\,2s\; ^3S_ 1)$ ions via intermediate levels with hollow, double-K-vacancy configurations $2s2p, 2s3p, 2p3s, 2p3d, 2s4p, 2p4s$, and $2p4d$ has been investigated. High-resolution photon-ion merged-beams measurements were carried out with the resolving power reaching up to 25 800 which is sufficient to separate the leading fine-structure components of the $2s2p^{3}P$ term. [...] OpenAccess: PDF PDF (PDFA); 2018-10-1220:02 [PUBDB-2018-03769] Journal Article et al Pressure-Induced Site-Selective Mott Insulator-Metal Transition in $\mathrm{Fe_{2}O_{3}}$ Physical review / X 8(3), 031059 (2018) [10.1103/PhysRevX.8.031059]   We provide experimental and theoretical evidence for a pressure-induced Mott insulator-metal transition in $Fe_{2}O_3$ characterized by site-selective delocalization of the electrons. Density functional plus dynamical mean-field theory ($DFT+DMFT$) calculations, along with Mössbauer spectroscopy, x-ray diffraction, and electrical transport measurements on $Fe_{2}O_3$ up to 100 GPa, reveal this site-selective Mott transition between 50 and 68 GPa, such that the metallization can be described by $(^{VI}Fe^{3+HS})_{2}O_{3} [R\bar{3}c$  structure]$\begin{matrix}\longrightarrow \\ 50 GPa \end{matrix} (^{VIII}Fe^{3+HS} ^{VI}Fe^{M})O_3$ $[P21/n$  structure] $\begin{matrix}\longrightarrow \\ 68 GPa \end{matrix}(^{VI}Fe^{M})_{2}O_{3}[Aba2/PPv$  structure]. [...] OpenAccess: Greenberg et al. - 2018 - Pressure-Induced Site-Selective Mott Insulator-Metal Transition in Fe2O3 - PDF PDF (PDFA); Greenberg et al. - 2018Sup - Pressure-Induced Site-Selective Mott Insulator-Metal Transition in Fe2O3 - PDF; 2018-10-1215:14 [PUBDB-2018-03762] Journal Article et al Lattice dynamics of epitaxial strain-free interfaces Physical review / B 98(12), 121409 (2018) [10.1103/PhysRevB.98.121409]   We report a systematic lattice dynamics study of the technologically important Fe$_3$Si/GaAs heterostructure for Fe$_3$Si layer thicknesses of 3, 6, 8, and 36 monolayers. The Fe-partial phonon density of states obtained by nuclear inelastic scattering exhibits up to a twofold enhancement of the low-energy phonon states compared to the bulk material for layer thicknesses of 8 monolayers and below. [...] OpenAccess: PDF PDF (PDFA); 2018-10-1214:52 [PUBDB-2018-03760] Journal Article et al Stishovite's Relative: A Post-Coesite Form of Phosphorus Oxonitride Angewandte Chemie / International edition 57(22), 6691 - 6695 (2018) [10.1002/anie.201803610]   Phosphorus oxonitride (PON) is isoelectronic with SiO$_2$ and may exhibit a similar broad spectrum of intriguing properties as silica. However, PON has only been sparsely investigated under high‐pressure conditions and there has been no evidence on a PON polymorph with a coordination number of P greater than 4 [...] 2018-10-1214:12 [PUBDB-2018-03757] Journal Article et al Effect of Shear Rate on the Orientation and Relaxation of a Vanillic Acid Based Liquid Crystalline Polymer Polymers 10(9), 935 (2018) [10.3390/polym10090935] special issue: "Liquid Crystalline Polymers"   In this study, we report on the visco-elastic response during start-up and cessation ofshear of a novel bio-based liquid crystal polymer. The ensuing morphological changes are analyzedat different length scales by in-situ polarized optical microscopy and wide-angle X-ray diffraction.Upon inception of shear, the polydomain texture is initially stretched, at larger strain break upprocesses become increasingly important, and eventually a steady state texture is obtained. [...] OpenAccess: PDF PDF (PDFA); External link: Fulltext 2018-10-1213:56 [PUBDB-2018-03755] Journal Article et al Pentacoordinated silicon in the high-pressure modification of datolite, $\mathrm{CaBSiO_{4}(OH)}$ Inorganic chemistry frontiers 5(7), 1653 - 1660 (2018) [10.1039/C8QI00257F]   A new modiﬁcation of borosilicate datolite, CaBSiO$_4$(OH), has been discovered using synchrotron-based in situ high-pressure single-crystal X-ray diﬀraction. The phase transition from low (I) to high (II) pressure modiﬁcation is isosymmetric and occurs between 27 and 33 GPa. [...] Restricted: PDF PDF (PDFA);