Proposer: Federico BOSCHERINI Title: FEL pump & probe experiments: methodological, instrumental, scientific opportunities and challenges (Preliminary)

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1 Titoli ed Abstracts di 9 PIKs di LdS al 28 settembre 2011 Proposer: Federico BOSCHERINI Title: FEL pump & probe experiments: methodological, instrumental, scientific opportunities and challenges (Preliminary) Facility per la quale si propone il progetto PIK: XFEL, Fermi@Elettra One of the outstanding characteristics of FEL radiation is the generation of very bright and ultra short ( fs) pulses. Such pulses can be used to probe the relaxation processes due to electron electron and electron-phonon scattering which follow visible light excitation in a range of systems, among which we can highlight those with strong electron lattice coupling and nanostructures. While there are potentially great opportunities many instrumental and methodological challenges lie ahead. In this context, the aims of this project are: to propose methods and establish protocols to perform pump and probe spectroscopy measurements with high time resolution in a materials/nano-science context; of particular interest are the issues of manipulator geometry, timing modes and synchronization, sample rotation/translation to reduce damage; to develop specific instrumentation necessary for such experiments on materials systems of current interest; we envisage the design of a time-of-flight photoelectron spectrometer and a sample manipulator specifically designed for pump-probe spectroscopy measurements on solids and surfaces; to provide a preliminary design of a UHV chamber for such measurements at the European X-FEL; to develop computational tools which are considered essential for data analysis of time-resolved spectroscopies. Proposer: Alessia CEDOLA Title: X-ray Waveguide: effective tool for FEL imaging (Preliminary) Facility per la quale si propone il progetto PIK: Fermi@Elettra X-ray waveguide (WG) can be described as a narrow channel in which the incoming x-ray radiation gives rise to propagating resonant modes. Planar and 2D X-ray waveguides are optical elements of considerable interest both from a fundamental point of view, and for their exploitation in microprobe experiments (i.e. microimaging, microdiffraction, microfluorescence, etc.). After the first demonstration of the feasibility to provide a coherent nanosized beam with

2 planar WG and with 2D WG, many different schemes and many applications have been demonstrated. In particular X-ray waveguides have been successfully used as coherent point-like sources for simultaneous in-line holography and Coherent X-ray Diffraction Imaging (CXDI). In this respect, a waveguide offers one of the best optical elements for producing coherent beams with curved wave fronts, allowing faster convergence in phase retrieval algorithm, and avoiding at the same time the need of beam stopper, both properties being extremely important for CXDI experiments. We propose here to exploit some unique features of x-ray waveguides for FEL applications in the FERMI microscopy beamline. In particular: i. WGs can be fabricated with a vacuum channel which allows good efficiency also in the soft X-ray region; ii. WGs are reflecting optics and therefore the power load is reduced with respect to diffraction or refraction optics; iii. Fabrication of WGs providing beam dimension from micrometres down to a few nanometers is relatively easy and inexpensive with respect to other kind of optics. iv. WGs inherently provide coherent beams, because they are based on the propagation of resonance modes; v. WGs have been demonstrated to be non dispersive in relation to propagation of short pulses; vi. A unique characteristic of WGs is the possibility to provide two mutually coherent beams. WGs can therefore act as coherent beam splitter and/or as an x-ray pump&probe optical element with a suitable delay line. vii. WG arrays or splitted WGs can be fabricated in order to create interference patterns and holographic devices. viii. Structured WGs have been recently proposed, which can provide a "cleaner" beam with suppression of even and high order harmonics. This kind of WGs can be used to allow mono-modal beam propagation and high degree of coherence even in conjunction with pre-focusing optics which can degrade the initial beam coherence. Proposer: Andrea DI CICCO Title: PHP (Ultrafast pump and probe spectroscopy under high pressure using free electron laser radiation) Facility per la quale si propone il progetto PIK: XFEL, Fermi@Elettra The aim of this project is to develop and build a prototype of a pump-andprobe instrument exploiting optical and/or x-ray/uv radiation on samples under variable density/high-pressure conditions. This project is closely related to the experimental program of the TIMEX beamline at Fermi@Elettra (see presently under commissioning, with the specific intent of exploiting the hard x-ray FEL radiation provided by the XFEL facility under construction. In fact, the Fermi@Elettra facility, as well as present (LCLS) and future (XFEL) sources, provide photon pulses able to pump matter under high temperature and high pressure conditions (isocore heating), and specific beamlines are planned or under construction for experiments on matter under extreme conditions (TIMEX, MEC, HED). However, the coupling of optical wideband probes with pressure de-

3 vices as well as the possible experiments proposed here are challenging and totally original. The program is specific for future experiments at XFEL but include performance of pilot experiments and installation at the TIMEX beamline, used also as a test facility for further applications with hard x-rays. The project is proposed by a qualified international team and the proposed experiments include open issues about warm dense matter, metastable fluids and glasses. Proposer: Giacomo GHIRINGHELLI Title: POLARIXS Towards full control of photon polarization in high resolution RIXS at the European X-FEL Facility per la quale si propone il progetto PIK: XFEL We propose to develop a polarimeter compatible with a high resolution RIXS spectrometer to be built at the beam line SCS of the European X-FEL in Hamburg. We have recently developed a specific know how by building a test apparatus for the RIXS spectrometer of the ID08 beam line at the ESRF, called AXES. For the X-FEL a more advanced device will be needed (possibly providing a polarization analysis in two mutually orthogonal directions) and will have to comply with the RIXS spectrometer, to be especially designed for the X-FEL in order to exploit the uniqueness of the source. A full control of polarization in RIXS should lead to (almost) unambiguous assignment of the spectral features, also thanks to a more straightforward comparison to theoretical predictions. Moreover, in the perspective of performing time-resolved RIXS experiment, polarization analysis could become decisive in disentangling processes having different dynamics. We are part of a European consortium (lead by Prof. A. Foehlisch) having presented its candidature to build and run the new RIXS facility at the X-FEL. Proposer: Giancarlo PANACCIONE Title: ULTRASPIN (ULTRAfast spectroscopy with SPIN Polarization) Facility per la quale si propone il progetto PIK :X-FEL, Fermi The proposal addresses the need to design and build an experimental station dedicated to ultrafast spin polarization dynamics from nanostructured-solids and surfaces with capability of measuring the spin polarization (SP) of the photoelectron yield as excited by individual Free Electron Laser radiation pulses. The core instrument of the experiential station will be a four-axis Mott scattering device allowing for full vectorial reconstruction of the SP both in the static and dynamic (pump-probe) modes. The complete experimental station will make available to future users an advanced sample environment (EM field pulses from lasers, localized magnetic fields, electric fields, temperature control from cryogenic temperatures to relevant Curie temperatures) as well as in situ sample synthesis and characterization by complementary electronic and magneto-optical methods. The design of the apparatus will allow for a modular implementation of the sample environment, sample preparation and complementary characterization. The experimental

4 station will be conceived as a user-friendly apparatus adequate for operation as baseline facility of the FEL laboratory, either as a permanently aligned end-station, or as a roll-on roll-out end-station on a range of FEL beamlines delivering photon energy from the UV up to soft-x rays, either linearly or variably polarized. Proposer: Paolo PISERI Title: Complex nano-particle and cluster sources for the new European FEL facilities Facility per la quale si propone il progetto PIK : Fermi, X-FEL We propose a versatile piece of equipment for the controlled inlet of clusters and nano-particles from atmospheric or near-atmospheric pressure into a vacuum chamber. The device, which includes suitable aerodynamic stages for particle skimming and concentration, would be apt to transfer nano-objects from a suite of different gas-phase sources, including pulsed vaporization and flame reactors, into a highly collimated particle beam compatible with UHV conditions at the FEL interaction point of the experimental end-station. A particle beam monitoring system based on 3D (XY-TOF) ion detector would also be developed and included. The project shall produce a prototype to be tested at FERMI LDM end-station. This will be instrumental to plan, in a possible stage-2, an apparatus for XFEL instruments like the NQS chamber of SQS or the vacuum chamber upgrade to FXE. Proposer: Luca POLETTO, CNR-Institute of Photonics and Nanotechnologies, Padova (Italy) Title: SINGLE-SHOT X-RAY EMISSION-SPECTROSCOPY EXPERIMENTS Reference to the facility FERMI@Elettra free-electron-laser Beamlines LDM (Low-Density-Matter) and TIMEX (TIMe-resolved studies of Matter under EXtreme and metastable conditions) The main goal of the project is the development of a prototype of an innovative, easy-to-install and compact photon spectrometer to be used in FEL beamlines for photon in-photon out experiments, in particular for single-shot x-ray emission spectroscopy. The instrument that might be realized in the framework of the present project is operated in the ev energy range and will be used at the LDM and TIMEX beamlines of FERMI@Elettra, covering the whole spectral range of FERMI-1 and FERMI-2. Furthermore, its upper energy limit fits well with the current spectral interval of operation of FLASH in Hamburg and also with the upcoming SASE 3 beamline at XFEL. The pilot single-shot XES experiments of isolated atomic clusters and materials under extreme conditions that will be performed at the LDM and TIMEX beamlines could be useful also for planning of future experiments at the XFEL facility. Furthermore, the apparatus will be used for time-resolved pump-probe experiments in the strong-optical-field regime, to realize an all-optical measurement of the time duration of the FEL pulse.

5 Participants 1. Research Unit of Padova (RU PD), project coordinator Reference person: Dr. Luca Poletto, CNR-Institute of Photonics and Nanotechnologies (CNR-IFN), Padova (Italy) 2. Research Unit of Camerino (RU CAM) Reference person: Prof. Andrea Di Cicco, Department of Physics, University of Camerino, Camerino (MC), Italy 3. Research Unit of Trieste (RU TS) Reference person: Dr. Marcello Coreno, CNR-Institute of Inorganic Methodologies and Plasmas (CNR-IMIP), Roma and Gas Phase beamline, Lab. Elettra, Trieste, Italy 4. Research Unit of Milano (RU MI) Reference person: Prof. Salvatore Stagira, Department of Physics, Politecnico di Milano (POLIMI), Milano, Italy 5. Research Unit of Modena (RU MO) Reference person: Prof. Stefano Nannarone, Department of Material Engineering, University of Modena and Reggio Emilia (UNIMO), Modena, Italy Proposer: Stefano TURCHINI Title: X-ray Spectroscopy of Proteins from Electrospray Source (X-SPES) Facility per la quale si propone il progetto PIK: and X-FEL The characterization of the structural properties of proteins in the gas phase provides valuable information on their folding, since the absence of solvent can reveal the balance among the molecular weak forces that determine their shape. Gas-phase results, therefore, complement the information obtained in crystals by XRD or in solution by NMR, and give unique insight into the influence of the solvent on the protein shape. The state of the art technique to bring unfragmented proteins or peptides into the gaseous phase is represented by the Electrospray Ionization technique, which consists in a soft evaporation of molecular ions from a solution. The combination of mass spectrometric techniques with X-ray spectroscopies (photodissociation and photoelectron spectroscopies) allows to address the study of the correlation between structural and electronic properties. The FEL sources with its high photon flux will overcome the low density of the ion target. The purpose of the project is to design a high flux electrospray source to increase the available target density, to modify an existing source in order to test the new design with synchrotron radiation at Elettra and Fermi FEL and finally to design an electron-ion spectrometer to be coupled with the source. This will build the needed expertise to plan in a possible stage-2 an apparatus for XFEL instruments like the NQS chamber of SQS.

6 Proposer: Giuseppe ZANOTTI Title: Exploiting the brilliance of the XFEL radiation for solving the phase problem in macromolecular crystallography Facility per la quale si propone il progetto PIK: The present project is not dedicated to a particular XFEL source, but explores the possibility of using nanocrystals in order to solve the phase problem in macromolecular crystallography. The technique, if successful, could be used on any XFEL source. The phase problem in macromolecular crystallography is nowadays normally solved by using experimental techniques, in particular measuring anomalous data on Se-Met derivatized crystals. The previous method cannot be used in a XFEL source for several technical reasons, not last the fact that nanocrystals are destroyed after one single shot of radiation. To overcome this problem, we propose to exploit the feasibility of measuring, using nano-crystals of macromolecules, diffraction data outside the Bragg peaks. This will allow, in principle, to calculate the phases making use of the dispersion relations (Hilbert transforms). Since the limit of this approach is given by the periodicity of the crystal, we plan first to perform computer simulations in order to determine the maximum number of crystal cells that gives rise to a useful signal in between Bragg peaks that will allow to recover the phases from the spectrum. If the procedure is successful, nano-crystals will be tested on the best existing microfocus beamlines available (perhaps at Petra). The final goal of the project is to set up a software program able to extract the continuous spectrum from a single diffraction image and to calculate the phases of the reflections present in this image.

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