Springer Series in Surface Sciences 59 Joseph C. Woicik E ditor Hard X-ray Photoelectron Spectroscopy (HAXPES) Springer Series in Surface Sciences Volume 59 Series editors Roberto Car, Princeton, USA Gerhard Ertl, Berlin, Germany Hans-Joachim Freund, Berlin, Germany Hans Lüth, Jülich, Germany Mario Agostino Rocca, Genova, Italy This series covers the whole spectrum of surface sciences, including structure and dynamicsofcleanandadsorbate-coveredsurfaces,thinfilms,basicsurfaceeffects, analytical methods and also the physics and chemistry of interfaces. Written by leading researchers in the field, the books are intended primarily for researchers in academia and industry and for graduate students. More information about this series at http://www.springer.com/series/409 Joseph C. Woicik Editor Hard X-ray Photoelectron Spectroscopy (HAXPES) 123 Editor JosephC. Woicik Brookhaven National Laboratory National Institute ofStandards andTechnology Upton, NY USA ISSN 0931-5195 ISSN 2198-4743 (electronic) SpringerSeries inSurface Sciences ISBN978-3-319-24041-1 ISBN978-3-319-24043-5 (eBook) DOI 10.1007/978-3-319-24043-5 LibraryofCongressControlNumber:2015950038 SpringerChamHeidelbergNewYorkDordrechtLondon ©SpringerInternationalPublishingSwitzerland2016 Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpart of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission orinformationstorageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilar methodologynowknownorhereafterdeveloped. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publicationdoesnotimply,evenintheabsenceofaspecificstatement,thatsuchnamesareexemptfrom therelevantprotectivelawsandregulationsandthereforefreeforgeneraluse. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authorsortheeditorsgiveawarranty,expressorimplied,withrespecttothematerialcontainedhereinor foranyerrorsoromissionsthatmayhavebeenmade. Printedonacid-freepaper SpringerInternationalPublishingAGSwitzerlandispartofSpringerScience+BusinessMedia (www.springer.com) Preface PhotoelectronspectroscopyhasitsrootsintheNobelPrize-winningworkofAlbert EinsteinandKaiSiegbahn.Itisthereforebothanhonorandahumblingexperience to produce a book that documents the excitement of the newest developments in this field. According to Einstein’s discovery of the law of the photoelectric effect, con- sideredtobethedawnofthequantumage,theconservationofenergybetweenthe incoming photon and the outgoing photoelectron in the photoemission process allows the technique to uniquely measure the chemical and electronic structure of atoms, molecules, and solids. However, despite Seigbahn’s original development of the technique for chemical analysis with high-energy X-rays, the use of low-energyphotonswithenergiesuptoonlyabout1.5keVbymodernresearchers, atbothlaboratoryandsynchrotronsources,resultsinextremelyshortphotoelectron inelasticmean-freepaths.Asaresult,thislimitedinformationdepthhashistorically restricted experiments to the study of surfaces and shallow interfaces, or what is referred to in the literature as traditional surface science. It is therefore no surprise that recent advances in both photon source and electron-spectrometer instrumentation have driven experiments into the extended 2–10 keV photon energy range resulting in what is now called hard X-ray pho- toelectronspectroscopy(HAXPES).Due toitsrelativelyunlimitedelectron escape depths,HAXPEShasemergedasapowerfultoolthathasgeneralapplicationtothe studyofthetruebulkandburiedinterfacepropertiesofcomplexmaterialssystems. Itsareasofapplicationarethusgrowingexponentiallycomparedtomoretraditional measurements at lower photon energies. In addition to the many advantages of being able to study “real” samples taken directly from air without the need for ion sputtering or other surface preparation, HAXPEShasopenedupotherresearchareasthatareincludedinthisbooksuchas: v vi Preface (cid:129) Thestudyofhighlycorrelatedandspintronicelectronsystemswithsurfaceand interface compositions and structures that are different from their bulk. (cid:129) The combination of energy and angle measurements (X-ray standing wave, photoelectrondiffraction,andangle-resolvedvalencephotoemission)toproduce elementally, chemically, and spatially specific electronic structure information. (cid:129) The study of realistic prototypical multilayer device structures under both ambient and operando conditions. (cid:129) The tuning of the photoelectron inelastic mean-free path and the X-ray pene- tration depth to study buried layers, interfaces, and nanoparticles with the specific nanometer and mesoscopic length scales relevant to modern industry, as, for example, today’s semiconductor hetero-structures. Thebrightnessofthird-andhighergenerationX-raysourceshasalsoopenedthe possibilities of both high-resolution two-dimensional chemical imaging with depth resolution (photoelectron microscopy) in addition to time-resolved photoemission. This volume provides the first complete, up-to-date summary of the state of the artinHAXPES.Itisthereforeamust-readforscientistsinterestedinharnessingits powerful capabilities for their own research. Chapters written by experts include historical work, modern instrumentation, theoretical developments, and real-world applications that cover the fields of physics, chemistry, and materials science and engineering. In consideration of the rapid development of the technique, several chapters include highlights that illustrate future opportunities as well. Upton, USA Joseph C. Woicik Contents 1 Hard X-ray Photoemission: An Overview and Future Perspective. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 Charles S. Fadley 2 The First Development of Photoelectron Spectroscopy and Its Relation to HAXPES . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35 Svante Svensson, Evelyn Sokolowski and Nils Mårtensson 3 HAXPES at the Dawn of the Synchrotron Radiation Age . . . . . . . 43 Piero Pianetta and Ingolf Lindau 4 Hard-X-ray Photoelectron Spectroscopy of Atoms and Molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 Marc Simon, Maria Novella Piancastelli and Dennis W. Lindle 5 Inelastic Mean Free Paths, Mean Escape Depths, Information Depths, and Effective Attenuation Lengths for Hard X-ray Photoelectron Spectroscopy . . . . . . . . . . . . . . . . . 111 C.J. Powell and S. Tanuma 6 Hard X-ray Angle-Resolved Photoelectron Spectroscopy (HARPES). . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141 Alexander X. Gray 7 One Step Model Description of HARPES: Inclusion of Disorder and Temperature Effects . . . . . . . . . . . . . . . . . . . . . . 159 Jürgen Braun, Ján Minár and Hubert Ebert 8 Recoil Effects in X-ray Photoelectron Spectroscopy . . . . . . . . . . . . 175 Yosuke Kayanuma 9 Depth-Dependence of Electron Screening, Charge Carriers and Correlation: Theory and Experiments . . . . . . . . . . . . . . . . . . 197 Munetaka Taguchi and Giancarlo Panaccione vii viii Contents 10 The Influence of Final-State Effects on XPS Spectra from First-Row Transition-Metals. . . . . . . . . . . . . . . . . . . . . . . . . 217 Andrew P. Grosvenor, Mark C. Biesinger, Roger St. C. Smart and Andrea R. Gerson 11 Optimizing Polarization Dependent Hard X-ray Photoemission Experiments for Solids. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 263 J. Weinen, T.C. Koethe, S. Agrestini, D. Kasinathan, F. Strigari, T. Haupricht, Y.F. Liao, K.-D. Tsuei and L.H. Tjeng 12 Photoelectron Emission Excited by a Hard X-ray Standing Wave. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 277 Jörg Zegenhagen, Tien-Lin Lee and Sebastian Thiess 13 Depth Profiling and Internal Structure Determination of Low Dimensional Materials Using X-ray Photoelectron Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 309 Sumanta Mukherjee, Pralay K. Santra and D.D. Sarma 14 Probing Perovskite Interfaces and Superlattices with X-ray Photoemission Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 341 Scott A. Chambers 15 HAXPES Measurements of Heterojunction Band Alignment . . . . . 381 Conan Weiland, Abdul K. Rumaiz and Joseph C. Woicik 16 HAXPES Studies of Advanced Semiconductors. . . . . . . . . . . . . . . 407 Patrick S. Lysaght and Joseph C. Woicik 17 Liquid/Solid Interfaces Studied by Ambient Pressure HAXPES. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 447 Z. Liu and H. Bluhm 18 HAXPES Applications to Advanced Materials. . . . . . . . . . . . . . . . 467 Keisuke Kobayashi 19 Photoelectron Microscopy and HAXPES. . . . . . . . . . . . . . . . . . . . 533 Raymond Browning 20 Femtosecond Time-Resolved HAXPES . . . . . . . . . . . . . . . . . . . . . 555 Lars-Philip Oloff, Masaki Oura, Ashish Chainani and Kai Rossnagel Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 569 Contributors S. Agrestini Max Planck Institute for Chemical Physics of Solids, Dresden, Germany MarkC.Biesinger SurfaceScienceWestern,TheUniversityofWesternOntario, London, ON, Canada H. Bluhm Lawrence Berkeley National Laboratory, Chemical Sciences Division, Berkeley, CA, USA Jürgen Braun Department of Chemie, Ludwig-Maximilians-Universität München, Munich, Germany Raymond Browning Shoreham, NY, USA Ashish Chainani RIKEN Spring-8 Center, Hyogo, Japan Scott A. Chambers Physical Sciences Division, Pacific Northwest National Laboratory, Richland, WA, USA HubertEbert DepartmentofChemie,Ludwig-Maximilians-UniversitätMünchen, Munich, Germany Charles S. Fadley Department of Physics, University of California Davis, Davis, CA, USA; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA Andrea R. Gerson Minerals and Materials Science and Technology (MMaST), Mawson Institute, University of South Australia, Adelaide, SA, Australia; Blue Minerals Consultancy, Adelaide, SA, Australia AlexanderX.Gray DepartmentofPhysics,TempleUniversity,Philadelphia,PA, USA Andrew P. Grosvenor Department of Chemistry, University of Saskatchewan, Saskatoon, Canada ix