Laboratoire de Chimie Physique - Matière et Rayonnement Physical Chemistry Matter and Radiation Laboratory LCPMR - UMR 7614

Transcription

1 Laboratoire de Chimie Physique - Matière et Rayonnement Physical Chemistry Matter and Radiation Laboratory LCPMR - UMR 7614 Alain Dubois, Directeur Francis Penent, Sous-Directeur Affiliations: CNRS : Institut de Chimie (70%) et Institut de Physique (30%) CN : 13, 4, 6, 14 UPMC : "Energy, Matter et the Universe» center and Chemistry Faculty A Electronic strucuture of Complex materials Resp: J.-M. Mariot, PR B Surface and interface Reactivity Resp: F. Rochet, PR S. Carniato, MCF C Reactivity under radidation in gas phase Resp: M. Simon, DR

2 " 72 staff with " 45 permanents 11 DR/CR (+1) et 17 PR/MCF (+3) 7 ITA et 9 IATOS 15 PhDs, 6 postdoc + interns

3 A Electronic structure of complex materials Jean-Michel Mariot (PR) B Surface and interfaces Reactivity F. Rochet (PR) - S. Carniato (MCF) C - Reactivity under radiation in gas phase Marc Simon (DR) A-1. Strongly correlated systems - Magnetic materials femtosecond dynamics of (de-)magnetization Electronic properties under pressure, Excitation and collective dynamics in oxydes of transition elements, Ordered networks of magnetic objects, Diluted Magnetic Semiconductors, Resonante X-ray spectro (RIXS, XRMS), Coherente X-ray scattering, Spectro RIXS, XPS HE/HR, Magnetron (magnetic thin layers) + MOKE (Magneto Optical Kerr Effect) A-2. Interfaces and multimaterials - Sources et X-ray optics Physical chemistry at the interfaces in periodic multilayers, X-ray emission, reflectometry, Monochromators/sources IRIS, MONOX, XUV B-1. Modelling Inner shell spectroscopy, Fragmentation dynamics, Defaults in oxyds, interfaces Si-SiO 2, Si-HfO 2, B-2. Functionalized surfaces surfaces Sciences molecular adsorption on Si Reactivity on surfaces, CSEAL + STM HP + XPSHP + XPS B-3. Physical chemistry of environnemental and spatiales ices Reactivity on water ice surfaces, Spectroscopies MIES, IR, SUMO (ex SACEMOR) C-1. Relaxation of inner shell excited molecules Vector correlation spectro. e ion,rx-ion, RX resonante scattering, Ultra-fast nuclear dynamics CELIMENE + RIXS + photoém. HE/HR C-2. Electronic correlations studied in coincidence Dynamical aspects of Auger effects, Double ionisation in valence inner s shell, ICD, HERMES C-3. Dynamics of quantum systems in strong fields ion-atom/molecule collisions, Dynamique in IR strong laser fields, Imagery of molecular orbitals, Two-color IR-XUV

4 A Electronic structure of complex materials Jean-Michel Mariot (PR) B Surface and interfaces Reactivity F. Rochet (PR) - S. Carniato (MCF) C - Reactivity under radiation in gas phase Marc Simon (DR) A-1. Strongly correlated systems - Magnetic materials femtosecond dynamics of (de-)magnetization Electronic properties under pressure, Excitation and collective dynamics in oxydes of transition elements, Ordered networks of magnetic objects, Diluted Magnetic Semiconductors, Resonante X-ray spectro (RIXS, XRMS), Coherente X-ray scattering, Spectro RIXS, XPS HE/HR, Magnetron (magnetic thin layers) + MOKE (Magneto Optical Kerr Effect) A-2. Interfaces and multimaterials - Sources et X-ray optics Physical chemistry at the interfaces in periodic multilayers, X-ray emission, reflectometry, Monochromators/sources IRIS, MONOX, XUV B-1. Modelling Inner shell spectroscopy, Fragmentation dynamics, Defaults in oxyds, interfaces Si-SiO 2, Si-HfO 2, B-2. Functionalized surfaces surfaces Sciences molecular adsorption on Si Reactivity on surfaces, CSEAL + STM HP + XPSHP + XPS B-3. Physical chemistry of environnemental and spatiales ices Reactivity on water ice surfaces, Spectroscopies MIES, IR, SUMO (ex SACEMOR) C-1. Relaxation of inner shell excited molecules Vector correlation spectro. e ion,rx-ion, RX resonante scattering, Ultra-fast nuclear dynamics CELIMENE + RIXS + photoém. HE/HR C-2. Electronic correlations studied in coincidence Dynamical aspects of Auger effects, Double ionisation in valence inner s shell, ICD, HERMES C-3. Dynamics of quantum systems in strong fields ion-atom/molecule collisions, Dynamique in IR strong laser fields, Imagery of molecular orbitals, Two-color IR-XUV

5 Dynamics of quantum systems in strong fields J. Caillat A. Maquet R. Taïeb N. Sisourat R. Guichard R. Della Picca G. Labaigt I. Pilskog H. Agueny S. Chqondi

6 Theory of ion-atom/molecule - One- and two-electron processes in multicenter collisional systems Electronic processes: A q+ + B* excitation A q+ + B A (q-1)+ + B + capture A q+ + B + + e - ionisation

7 " the modelisation of MOTIVATIONS the ultra-fast dynamics of atomic and molecular systems the interplay of the many open channels " non-perturbative treatments Dynamical electronic correlation and the complete atomic/molecular Intermediate to high energy range electronic spectrum (including continuum) E kev/u = 0.1 kev/u " Fundamental aspects of dynamical few-body quantum systems and 65 MeV/u => v " a.u. computations of cross sections for applications Interaction region a " 10 a.u. P v R ( t ) R (t) Collision time 200 a.u. < = a / v < 0.2 a.u. 1 a.u. of B time = s femtosecond - attosecond B time scale R ab R ab A A p e P E kev/u " 25 A v 2 v Single ionisation of molecules Double electron transfer from molecules to ions

8 Theoretical models : Semi-classical approach Sudden approximation (R AB fixed) Non-perturbative * For high impact energies (> 1 Mev/u) lattice representation : 1e-(1-3)D, 2e-1D * For intermediate energies (" 1 kev/u) travelling AO/MO basis sets expansion 2e v Collision geometry (3D) x P b e - R(t) r 1 B r 2 e - y R AB A z

9 High (MeV) energy processes : A q+ + H 2 A q+ + H e - ionisation Lattice representation

10 63 MeV/u 1e - 1D Kr H Kr H 2 N. Sisourat, J. Caillat, A. Dubois and P. D. Fainstein, Phys. Rev. A 76, (2007)

11 Low energy ion-molecule collisions Electron capture (1 electron system) (resonant system) Recent experimental results Bräuning et al, J. Phys. B (2001) Total capture Reiser et al, HCI-2002, Caen Orientation effects (COLTRIMS)

12 v = 1.0 a.u. $ = 90 $ = 0 //# dominates