Short Wavelength Laboratory Sources: Principles and Practices - Hardcover

Hardcover

ISBN 10: 1849734569 ISBN 13: 9781849734561

Publisher: Royal Society of Chemistry, 2014

Synopsis

Written by a distinguished team of international authors this exemplary new handbook is based on the COST Action MP0601: Short Wavelength Laboratory Sources.

About this title

About the Author

Professor Alan Michette did his PhD in Particle Physics at University College London. After a postdoctoral appointment at UCL he spent four years at the Rutherford Appleton Laboratory before joining Queen Elizabeth College, London as a lecturer, at which point he changed to his current research field of X-Ray Physics. Following the merger of the colleges he moved to King's College London, where he has been ever since apart from a sabbatical in Germany as an Alexander von Humboldt Fellow. In addition to his main research interests, he is the UK instigator of a project to place cosmic ray detectors in local schools with the aim of allowing pupils and teachers the opportunity to be involved in real research - science by application.

Sadly, Professor Michette passed away in May 2013 before this book was published.

From the Back Cover

Our ability to manipulate short wavelength radiation (0.01-100nm, equivalent to 120keV-12eV) has increased significantly over the last three decades. This has lead to major advances in applications in a wide range of disciplines such as: the life and medical sciences, including cancer-related studies; environmental science, including studies of pollution and its effects; archaeology and other cultural heritage disciplines; and materials science. Although expansion in application areas is due largely to modern synchrotron sources, many applications will not become widespread, and therefore routinely available as analytical tools, if they are confined to synchrotrons. There is a need to develop bright but small and low cost X-ray sources, not to replace synchrotrons but to complement them and this book will look at how to facilitate these developments.

Written by a distinguished team of international authors, this book is based on the COST Action MP0601: Short Wavelength Laboratory Sources. The contents are divided into five main sections. the introductory section provides a comprehensive introduction to the fundamentals of radiation, generation mechanisms and short wavelength laboratory sources. The middle sections focus on modelling and simulation, source development: improvement and characterisation and integrated systems: sources, optics and detectors. The final section looks at recent applications.

Aimed at academic and industrial researchers in physical chemistry and chemical physics, the contents provides practical information about the implementation of short wavelength laboratory sources and their applications.

Excerpt. © Reprinted by permission. All rights reserved.

Short Wavelength Laboratory Sources

Principles and Practices

By Davide Bleiner, John Costello, Francois de Dortan, Gerry O'Sullivan, Ladislav Pina, Alan Michette

The Royal Society of Chemistry

Copyright © 2015 ESF (European Science Foundation)
All rights reserved.

ISBN: 978-1-84973-456-1

Contents

Modelling and Simulation, 
ATOMIC AND PLASMA PHYSICS SOFTWARE AND DATABASES FOR THE SIMULATION OF SHORT WAVELENGTH SOURCES F. de Dortan, D. Kilbane, J. Vyskocil, P. Zeitoun, A. Gonzalez, A. de la Varga, O. Guilabaud, D. Portillo, O. Cotelo, A. Barbas and P. Velarde, 3, 
MODELLING OF PLASMA-BASED SEEDED SOFT X-RAY LASERS E. Oliva, T. T. Le and P. Zeitoun, 14, 
FIELD COHERENCE OF EUV SOURCES Olivier Guilbaud, 25, 
REACHABLE EXTREME ULTRAVIOLET WAVELENGTHS ACCORDING TO ELEMENTS / ATOMIC DATA D. Kilbane, F. de Dortan, G. O'Sullivan and V. Zakharov, 42, 
ABSORPTION OF SHORT PUMPING PULSES FOR GRAZING INCIDENCE PUMPED X-RAY LASERS D. Ursescu, 49, 
THEORETICAL ANALYSIS AND EXPERIMENTAL APPLICATIONS OF X-RAY WAVEGUIDES I. Bukreeval, D. Pelliccia, A. Cedola, A. Sorrentino, F. Scarinci, M. Ilie, M. Fratini, V. E. Asadchikov, V. L. Nosik and S. Lagomarsino, 65, 
TABLE-TOP SOFT X-RAY Ar+8 LASERS EXCITED BY CAPILLARY Z-PINCHES J. Szasz, M. Kiss, I. Santa, S. Szatmari, and S.V. Kukhlevsky, 85, 
NANOMETRE SCALE TAPERED PLANAR WAVEGUIDES FOR FOCUSING X-RAY FEMTOSECOND PULSES S.V. Kukhlevsky, 102, 
EXTREME ULTRAVIOLET EMISSION FROM MULTI-CHARGED STATE IONS IN POTASSIUM PLASMAS T. Higashiguchi, B. Li, R D'Arcy, P. Dunne, and Gerry O'Sullivan, 109, 
Source Development, 
LASER PRODUCED PLASMA X-RAY AND EUV SOURCES FOR LITHOGRAPHY G.O'Sullivan, 121, 
PRACTICAL ASPECTS OF XUV GENERATION BY NON-LINEAR FREQUENCY CONVERSION Bill Brocklesby, 131, 
ELECTRON TRAJECTORIES IN HIGH HARMONIC GENERATION I.B. Földes and K. Varjú, 150, 
MODIFIED CATHODE TUBE: X-RAY AND XUV RADIATION FOR NANO-INSPECTION U. Hinze and B. Chichkov, 163, 
CHARACTERISTICS OF A SUB-PICOSECOND TITANIUM Kα SOURCE USING RELATIVISTICALLY INTENSE LASERS U. Zastrau, I. Uschmann, E. Förster, A. Sengebusch, H. Reinholz, G. Röpke, E. Kroupp, E. Stambulchik and Y. Maron, 179, 
BREMSSTRAHLUNG X-RAY EMISSION IN ELECTRON-BEAM-PUMPED KRF LASERS V.D. Zvorykin and S.V. Arlantsev, 207, 
Integrated Systems, 
THE BERN ADVANCED GLASS LASER FOR EXPERIMENT (BEAGLE) X-RAY LASER FACILITY Davide Bleiner and Felix Staub, 235, 
ENEA EXTREME ULTRAVIOLET LITHOGRAPHY MICRO-EXPOSURE TOOL: MAIN FEATURES S. Bollanti, P. Di Lazzaro, F. Flora, L. Mezi, D. Murra, A. Torre, 245, 
CHARACTERISATION AND MITIGATION OF IONS AND PARTICULATE EMITTED BY SOURCES FOR EXTREME ULTRAVIOLET LITHOGRAPHY P. Di Lazzaro, S. Bollanti, F. Flora, L. Mezi, D. Murra and A. Torre, 270, 
EUV MULTILAYER OPTICS: DESIGN, DEVELOPMENT AND METROLOGY P. Nicolosi, 283, 
APPLICATIONS OF KrF LASERS FOR GENERATING COHERENT EUV RADIATION I.B. Földes and S. Szatmári, 313, 
BROADBAND MULTILAYERS: TAILOR MADE MIRRORS FOR LINEARLY POLARIZED X-RAYS FROM A LASER PLASMA SOURCE M. Krämer and K. Mann, 326, 
Applications, 
SHORT WAVELENGTH LABORATORY SOURCES FOR SEMI-CONDUCTOR INSPECTION AND FABRICATION Davide Bleiner and Mabel Ruiz-Lopez, 335, 
CARBON-NANOTUBES FIELD EMITTER TO BE USED IN ADVANCED X-RAY SOURCE M. Fratini, S. Iacobucci, A. Rizzo, F. Scarinci, Y. Zhang, W.I. Milne, A. Cedola, G. Stefani, S. Lagomarsino, 358, 
LASER-PLASMA EUV SOURCE FOR MODIFICATION OF POLYMER SURFACES A. Bartnik, H. Fiedorowicz, R. Jarocki, J. Kostecki, L. Pina, M. Szczurek, and P. Wachulak, 366, 
A SUB-PICOSECOND PLASMA SOURCE FOR TIME-RESOLVED X-RAY MEASUREMENTS T. Kämpfer, S. Höfer, R. Loetzsch, I. Uschmann and E. Förster, 373, 
APPLICATION OF FOCUSED X-RAY BEAMS IN RADIATION BIOLOGY J. Lekki, J. Bielecki, S. Bozek, Z. Stachura, 381, 
TIME-RESOLVED X-RAY DIFFRACTION OF CRYOGENIC SAMPLES USING A LASER BASED PLASMA SOURCE R. Loetzsch, A. Lübcke, F. Zamponi, T. Kämpfer, I. Uschmann and E. Förster, 398, 
NEAR-EDGE X-RAY ABSORPTION FINE STRUCTURE MEASUREMENTS USING A LABORATORY-SCALE XUV SOURCE K. Mann, 407, 
NANOMETER SCALE IMAGING USING A DESK-TOP LASER PLASMA EUV SOURCE P.W. Wachulak, A. Bartnik and H. Fiedorowicz, 414, 
LASER-PLASMA EUV AND SOFT X-RAY SOURCES FOR MICROSCOPY APPLICATIONS P.W. Wachulak, A. Bartnik, H. Fiedorowicz, T. Feigl, R. Jarocki, J. Kostecki, L. Pina, M. Szczurek, A. Szczurek and Z. Zawadzki, 419, 
NANOMETER SCALE IMAGING WITH TABLE-TOP EXTREME ULTRAVIOLET LASER P.W. Wachulak, A. Isoyan, R.A. Bartels, C.S. Menoni, J.J. Rocca and M.C. Marconi, 425, 
DEVELOPMENT AND OPTIMIZATION OF LASER-PLASMA EXTREME ULTRAVIOLET AND SOFT X-RAY SOURCES FOR MICROSCOPY APPLICATIONS P. W. Wachulak, A. Bartnik, J. Kostecki, R. Jarocki, M. Szczurek and H. Fiedorowicz, 431, 
Subject Index, 447, 

CHAPTER 1

ATOMIC AND PLASMA PHYSICS SOFTWARE AND DATABASES FOR THE SIMULATION OF SHORT WAVELENGTH SOURCES

F. de Dortan, D. Kilbane, J. Vyskocil, P. Zeitoun, A. Gonzalez, A. de la Varga, O. Guilbaud, D. Portillo, M. Cotelo, A. Barbas and P. Velarde

1 INTRODUCTION

A large variety of software has been developed for numerical simulations of plasma radiation emission and transport and the design of optics. Many of these codes are not specifically for short wavelengths but they can be helpful in the design of X-ray and extreme ultraviolet (XUV) sources. The astrophysics community has written codes to study the spectra and evolution of stars and gas clouds while civilian and military applicants of atomic processes were aware very early of the need for atomic, plasma and hydrodynamic software to simulate nuclear fission and fusion and their effects. Of more relevance to low cost EUV sources, the large synchrotron community has also generated efficient tools for the simulation of radiation from electrons and the design of short wavelength optics.

The present intention is not to present all the available software, since resources such as Computer Physics Communications and Plasma Gate give much more comprehensive, if never complete, reviews. Instead, some of the more popular programs will be introduced, as they are proven and tested assistance is available from experienced users. The software may be downloaded from the web sites listed in the references; registration is sometimes required.

2 DATABASES

The National Institute of Standards and Technology (NIST) Atomic Spectra Database is a comprehensive compilation of the experimental wavelength, strengths and level energies of spectral lines with links to the original papers. Access to the ionisation energies is available on the same website. The Atomic Molecular Data Service (AMDAS) of the International Atomic Energy Agency (IAEA) is another source of databases and online software.

The OPAL opacity tables give access to the monochromatic Rosseland opacities of 22 elements of interest for solar astrophysics - hydrogen, helium, carbon, nitrogen, oxygen, fluorine, neon, sodium, magnesium, aluminium, silicon, phosphorous, sulphur, chlorine, argon, potassium, calcium, titanium, chromium, manganese, iron and nickel. The opacities are for solar mixtures but may be easily extended to other mixtures and pure elements. Local Thermodynamic Equilibrium (LTE) is assumed. Some equations of state are also available for the most representative elements of the Sun, namely hydrogen, helium, carbon, oxygen and neon. Some Fortran subroutines are available for interpolation. The tables are computed and maintained at the Lawrence Livermore National Laboratory.

The Opacity and Iron Projects are international collaborations to estimate stellar envelope opacities and compute Rosseland mean opacities of elements relevant for astrophysics, essentially the same list as OPAL except for helium, fluorine, phosphorous, potassium and titanium. Data tables can be generated online choosing custom mixture of elements. A global archive can also be downloaded including some routines to compute the opacities online; radiative accelerations are also included. Fine structure atomic data - energy levels, radiative transition probabilities, electron impact excitation cross sections and rates and photo-ionisation cross sections - are also available online.

Sesame is a library of tables for the thermodynamic, electric and radiative properties of materials with Fortran subroutines for the use of the libraries, three of which are available:

• Equation Of State (EOS) for over 150 materials (simple elements, compounds, metals, minerals, polymers, mixtures ...). This library contains pressure, energy, Helmholtz free energy, thermal electronic and ionic contributions, and sometimes vaporisation, melt and shear tables for temperatures in the range 0105 eV and densities of 10-6 - 104 g/cm3;

• An opacity library where mean Planck and Rosseland opacities as well as ionisation and electron conductive opacities are provided for temperatures above 1eV and for elements with Z=1-30;

• A conductivity library giving mean ionisation, electrical and thermal conductivities, thermoelectric coefficients and electron conductive opacities for elements with Z=1-96.

Many methods are used to obtain the EOS, the aim being to have thermodynamically self-consistent equations that are generated using the most accurate physics to provide the best possible agreement with available experimental data. Fortran subroutines are provided to read the data and compute the thermodynamic variables and their first derivatives at the desired points. Libraries are created and maintained at the Los Alamos National Laboratories where they can be obtained after registration.

3 ONLINE SOFTWARE

The COWAN suite of code on the Los Alamos T4 network gives direct access to the computation of detailed or averaged energy levels including configuration interactions. It is based on the Hartree Fock method, and line strength, collisional excitation in distorted waves (DW) or the first order many body theory (FOMBPT) approximations are also available. Collisional ionisation can be computed using the scaled hydrogenic, binary encounter (billiard-like collision taking into account target momentum) or distorted wave approximations. Photo-ionisation cross sections as well as auto-ionisation rates are also calculated.

A web interface of the FLYCHK code, is available at the National Institute of Standards and Technologies (NIST). It generates atomic level populations and charge state distribution as well as overall radiative losses for low- to mid-Z elements under non-LTE conditions. The full version of this code, which is discussed more fully in section 3.3, is available to download.

The Centre for X-Ray Optics (CXRO) at the Lawrence Berkeley National Laboratory provides online access to the computation of transmission factors of neutral materials (either gaseous or solids, and pure or compounds). It is also possible to load the scattering factor tables in order to create custom databases for local calculations. It is also possible to compute online the reflectivities of materials or multilayers, whatever the composition and density. Transmission gratings efficiency can also be calculated.

4 SOFTWARE TO BE DOWNLOADED OR REQUESTED

4.1 Software for Atomic physics

Multi Configuration Hartree Fock (MCHF) codes were initially developed by Charlotte Froese Fischer. Many versions are available on the Computer Physics Communications (CPC) Program Library and on the internet to compute structure, wave functions and energy levels as well as radiative transition rates. Many subsequent programs are also available to determine the collisional rates between the computed levels within a wide range of approximations, for example ATSP2K on CPC or at NIST.

Single or Multi Configuration Dirac Fock (SCDF, MCDF) codes rely on the fully relativistic Dirac equation. Many versions exist, all permitting structural computation with level energies and radiative transition rates. Some also give access to collisional transition and photo-ionisation cross sections and auto-ionisation rates within the same package; otherwise external programs have to be used subsequently. Many of these present multiple optimisation procedures to increase the precision of the energies and wave- functions or rates useful for extremely detailed spectroscopy. This may not be useful for sources emitting many closely spaced lines but may help describe better X-ray laser amplification of single lines. The Multi Configuration Dirac Fock and General Matrix Element (MCDFGME) package is more complete, including Born collisional excitation, photo-ionisation and auto-ionisation cross sections and rates.

Autostructure is a Fortran program for computing atomic and ion energy levels, radiative and auto-ionisation rates and photo-ionisation cross sections. It is based on Superstructure and performs calculations in orbital angular momentum / spin (Russell Saunders or LS-) or intermediate (jj-) coupling using non-relativistic or semi-relativistic wave-functions. Radial functions use a model potential, either Thomas-Fermi (TF) or Slater-Type-Orbital (STO). The data can be post processed to generate di-electronic recombination rate coefficients for doubly excited state populations and satellite line emission modelling. This code has been used successfully to model di-electronic recombination of tin ions relevant to EUV lithography.

The COWAN suite of Fortran 77 codes is a package of computer programs using the MCHF method to compute level energies and structures, radiative transition wavelengths and probabilities, electron impact excitation, photo-ionisation cross sections and auto-ionisation rates. It provides full access to all the intermediate information and variables such as radial wave-functions, centre of gravity configuration energies, radial Coulomb and spin-orbit integrals. It is also possible to perform least squares fits to experimental energy levels for spectroscopic use.

The Relativistic Atomic Transition and Ionization Properties (RATIP) suite of programs calculates relativistic atomic transition, ionization and recombination properties. It is particularly suitable for open-shell atoms and ions and is capable of calculating energy levels, transition probabilities, Auger parameters, photo-ionisation cross sections and angular parameters, radiative and di-electronic recombination rates and many other atomic properties. It was developed as a scalar FORTRAN 90/95 code and all computations are performed within the MCDF framework as implemented in GRASP92 and GRASP2K packages. Successful applications of RATIP include atomic photo-ionisation and electron spectroscopy, study of highly charged ions, spectroscopy of heavy and super-heavy elements, the generation of atomic data for astrophysics and plasma physics and the search for time reversal violating interactions in atomic systems.

The Hebrew University – Lawrence Livermore Atomic Code (HULLAC) is a complete suite of Fortran atomic codes including structure and transitions. It is a consistent atomic model using the same wave functions for computing all atomic processes relevant to plasma spectroscopy. These wave functions are obtained by solving the Dirac equation in a parametric potential. A factorisation /interpolation method allows faster computation of collisional cross sections. The initial version of the code has been recently rewritten to increase the size of matrices and allow not only detailed levels but also configuration averaging both relativistic and non-relativistic. It now has easy user input, a collisional radiative solver, the ability to use the mixed transition arrays and to model the effects of external radiation fields; spectral software is also included. HULLAC is being used by many groups around the world and may be obtained from its authors.

The Flexible Atomic Code (FAC) is a complete suite of atomic codes including structure and transitions, mostly similar to HULLAC. It solves the relativistic Dirac equation, using a single central parametric potential to compute the orbitals. Radiative decay, collisional excitation and ionisation, auto-ionisation and photo-ionisation cross sections and rates are computed within the distorted wave approximation. Coulomb Born approximation with exchange (between incoming and target electrons) and binary encounter dipole approximations can also be used to compute the collisional ionisation more quickly. Results can be either detailed or averaged in relativistic configurations. Detailed levels may also be split into magnetic sublevels and the transitions computed between these. FAC is written in FORTRAN 77 for the physics and C for the architecture. Two interfaces are available, one online, the other a PYHTON scripting interface which allows easier extensive use of the program. It is very stable and straightforward to install. A collisional radiative solver and spectrum computation are available but not documented and difficult to use and so most users develop their own solver and radiative emission and transmission software.

4.2 Equation of State and Opacities

ABINIT is a widely used package allowing to compute the total energies, charge densities and electronic structures of a combination of a nucleus and electrons using density functional theory (DFT). ABINIT also include options to optimise the geometry according to the DFT forces and stresses, to perform molecular dynamics simulations using these forces, or to generate dynamical properties (vibrations and phonons), dielectric properties, mechanical properties and thermodynamic properties. Some possibilities of ABINIT go beyond DFT, for example the many-body perturbation theory, which uses the single particle Green's function G and the screened Coulomb interaction W (GW approximation), and Time-Dependent DFT. The codes have been written in Fortran 90 by more than 200 developers who upgrade and maintain it under the GNU/GPL license.

(Continues...)

Excerpted from Short Wavelength Laboratory Sources by Davide Bleiner, John Costello, Francois de Dortan, Gerry O'Sullivan, Ladislav Pina, Alan Michette. Copyright © 2015 ESF (European Science Foundation). Excerpted by permission of The Royal Society of Chemistry.
All rights reserved. No part of this excerpt may be reproduced or reprinted without permission in writing from the publisher.
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Edition details

• Publisher: Royal Society of Chemistry
• Publication date: 2014
• Language: English
• ISBN 10: 1849734569
• ISBN 13: 9781849734561
• Binding: Hardcover
• Number of pages: 467
• Editor: Davide Bleiner