Sahle Ch. J. Temperature and pressure induced changes in the local atomic and electronic structure of complex materials: Diss. … Dr. rer. nat. - [Dortmund]: Technische Universität Dortmund, 2011. - vi, 95 p. - Incl. bibl. ref.   Место хранения:   08 | Институт физики им. Л.В.Киренского СО РАН | Красноярск | Библиотека

Оглавление / Contents

List of Figures ................................................. v List of Acronyms .............................................. vii 1 Introduction ................................................. 1 2 Theory of inelastic x-ray scattering ......................... 5 2.1 The double differential scattering cross-section ........ 5 2.1.1 X-ray absorption and the resonant term ........... 9 2.1.2 The dynamic structure factor S(q,ω) ............. 12 2.2 Simulating XAS and XRS spectra from first principles ... 15 2.2.1 The real space multiple scattering formalism .... 15 2.2.2 The finite difference method to calculate σXAS(ω1) ........................................ 17 2.2.3 The Kohn-Sham Density Functional Theory approach to XAS and XRS ......................... 18 3 Experimental Setups ......................................... 21 3.1 DELTA beamline BL8 ..................................... 21 3.2 ESRF beamline ID16 ..................................... 23 3.3 APS beamline 20-ID-B ................................... 25 3.4 DELTA beamline BL9 ..................................... 25 4 Ge nanocrystal formation in oxide matrices .................. 29 4.1 Phase separation and nanocrystal formation in bulk amorphous GeOx ......................................... 31 4.2 Phase separation and size controlled growth of Ge nanocrystals in GeO/SiO2 multilayers ................... 38 4.3 Ge-oxide free Ge nanocrystal formation in multilayered GeSiO/SiO2 ................................ 45 4.4 Summary and outlook .................................... 52 5 Ba intercalated Si clathrates ............................... 55 5.1 Modulations of the Ba GR in Si-Clathrates .............. 57 5.2 Pressure induced phase transitions in Ba8Si46 .......... 67 5.3 Summary and outlook .................................... 72 6 XRS studies of water and silicate melts under extreme conditions .................................................. 75 6.1 Water at high temperature and high pressure ............ 76 6.2 Silicate melt NS3 at high temperature and high pressure ............................................... 86 6.3 Summary and outlook .................................... 90 7 Summary and outlook ......................................... 93 Supplement to chapter ........................................ i Bibliography ............................................... iii List of publications ........................................ xi Acknowledgments ........................................... xiii Eidesstattliche Erklärung .................................. xiv