Correlation Spectroscopy of Surfaces, Thin Films, and Nanostructures

259 Pages·2004·6.175 MB·English

by  Jamal Berakdar, Jürgen Kirschner

Edited by
Jamal Berakdar,Jürgen Kirschner
Correlation Spectroscopy
of Surfaces, Thin Films,
and Nanostructures
WILEY-VCH Verlag GmbH & Co.KGaA

Jamal Berakdar,Jürgen Kirschner (Eds.)
Correlation Spectroscopy of Surfaces,
Thin Films,and Nanostructures

Edited by
Jamal Berakdar,Jürgen Kirschner
Correlation Spectroscopy
of Surfaces, Thin Films,
and Nanostructures
WILEY-VCH Verlag GmbH & Co.KGaA
Editors This book was carefully produced.Nevertheless,
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Contents
Preface XI
ListofContributors XIII
1 A First-Principles Scheme for Calculatingv the Electronic Structure of Strongly
CorrelatedMaterials: GW+DMFT
(F.Aryasetiawan,S.Biermann,andA.Georges) 1
1.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1.2 TheGW Approximation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
1.2.1 Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
1.2.2 TheGWApproximationinPractice . . . . . . . . . . . . . . . . . . 5
1.3 DynamicalMeanFieldTheory . . . . . . . . . . . . . . . . . . . . . . . . . 7
1.3.1 DMFTinPractice . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
1.4 GW+DMFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
1.4.1 SimplifiedImplementationofGW+DMFTandApplicationtoFerro-
magneticNickel . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
1.5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
2 AMany-bodyApproachtotheElectronicandOpticalPropertiesofCopperand
Silver
(A.Marini) 17
2.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
2.2 QuasiparticleElectronicStructureofCopper . . . . . . . . . . . . . . . . . . 18
2.3 ThePlasmonResonanceofSilver . . . . . . . . . . . . . . . . . . . . . . . 21
2.4 DynamicalExcitonicEffectsinMetals . . . . . . . . . . . . . . . . . . . . . 25
2.5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
3 CorrelationSpectroscopyofNano-sizeMaterials
(O.Kidun,N.Fominykh,andJ.Berakdar) 32
3.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
3.2 Generalities . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33
3.3 ExcitationsinFiniteSystems: RoleoftheElectron–ElectronInteraction . . . 34
3.3.1 FormalDevelopment . . . . . . . . . . . . . . . . . . . . . . . . . . 35
VI Contents
3.4 ResultsandDiscussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37
3.5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40
References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41
4 Electron–ElectronCoincidenceStudiesonAtomicTargets:
AReviewof(e,2e)and(e,3e)Experiments
(A.Lahmam-Bennani) 42
4.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42
4.2 StructureStudies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
4.3 DynamicsStudies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
4.3.1 TheOpticalLimit. . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
4.3.2 DynamicsStudiesatIntermediateEnergiesandIntermediateMomen-
tumTransfer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47
4.4 Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56
References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56
5 StudyingtheDetailsoftheElectron–ElectronInteractioninSolidsandSurfaces
(J.Kirschner,C.Winkler,andJ.Berakdar) 58
5.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58
5.2 GeneralConsiderations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58
5.3 ResultsandInterpretations . . . . . . . . . . . . . . . . . . . . . . . . . . . 59
5.4 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
6 Two-Electron Spectroscopy Versus Single-Electron Spectroscopy for Studying
SecondaryEmissionfromSurfaces
(S.Samarin,O.M.Artamonov,A.D.Sergeant,andJ.F.Williams) 68
6.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68
6.2 ExperimentalDetailsoftheTime-of-Flight(e,2e)SpectroscopyinReflection
Mode . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70
6.2.1 ExperimentalSet-Up . . . . . . . . . . . . . . . . . . . . . . . . . . 70
6.2.2 Combination of Time-of-Flight Energy Measurements and Coinci-
denceTechnique . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71
6.2.3 DataProcessing. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71
6.3 ExperimentalResultsandDiscussion. . . . . . . . . . . . . . . . . . . . . . 72
6.3.1 LiFFilmonSi(100) . . . . . . . . . . . . . . . . . . . . . . . . . . 72
6.3.2 SingleCrystalofW(110) . . . . . . . . . . . . . . . . . . . . . . . . 74
6.3.3 SingleCrystalofSi(001) . . . . . . . . . . . . . . . . . . . . . . . . 79
6.4 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80
References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81
7 EMSMeasurementoftheValenceSpectralFunctionofSilicon–ATestof
Many-bodyTheory
(C.Bowles,A.S.Kheifets,V.A.Sashin,M.Vos,E.Weigold,andF.Aryasetiawan) 83
7.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83
Contents VII
7.2 ExperimentalDetails . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85
7.3 Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88
7.3.1 IndependentParticleApproximation . . . . . . . . . . . . . . . . . . 88
7.3.2 ElectronCorrelationModels . . . . . . . . . . . . . . . . . . . . . . 89
7.4 ResultsandDiscussions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90
7.4.1 BandStructure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90
7.4.2 DiffractionEffects . . . . . . . . . . . . . . . . . . . . . . . . . . . 95
7.4.3 Many-bodyEffects . . . . . . . . . . . . . . . . . . . . . . . . . . . 97
7.5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102
8 RecentResultsfrom(γ,eγ)andComptonSpectroscopy
(F.Bell) 105
8.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105
8.2 Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106
8.3 ResultsandDiscussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
8.3.1 Graphite. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
8.3.2 Fullerene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109
8.3.3 Cu–NiAlloy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110
8.4 LifetimeEffectsinComptonScattering . . . . . . . . . . . . . . . . . . . . 112
8.5 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116
9 Theoryof(e,2e)SpectroscopyfromFerromagneticSurfaces
(R.FederandH.Gollisch) 118
9.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118
9.2 ConceptsandFormalism . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119
9.3 SpinandSpatialSelectionRules . . . . . . . . . . . . . . . . . . . . . . . . 120
9.4 NumericalResultsforFe(110) . . . . . . . . . . . . . . . . . . . . . . . . . 124
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129
10 Ab-initioCalculationsofChargeExchangeinIon–surfaceCollisions:
AnEmbedded–clusterApproach
(L.Wirtz,M.Dallos,H.Lischka,andJ.Burgdörfer) 130
10.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130
10.2 ConvergenceoftheDensityofStatesasaFunctionofClusterSize . . . . . . 132
10.3 GoingbeyondHartree–Fock . . . . . . . . . . . . . . . . . . . . . . . . . . 133
10.4 ConvergenceofPotentialEnergyCurvesasaFunctionofClusterSize . . . . 137
10.5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142