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hongliushu03

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[资源] 分享英文专著：Nano- andMicromaterials(附件已重新压缩上传)

editors：Jun Takeda Yoshiyuki Kawazoe
Kaoru Ohno Masatoshi Tanaka
Contents
1 General Introduction
K. Ohno ........................................................ 1
References ...................................................... 15
2 Nanometer-Scale Structure Formation on Solid Surfaces
M. Tanaka, K. Shudo, and S. Ohno ................................ 19
2.1 Introduction................................................ 19
2.2 Atomic Layer Etching Processes on Silicon Surfaces . . . . . . . . . . . . . 21
2.2.1 Introduction ......................................... 21
2.2.2 Real-TimeOpticalMeasurements....................... 24
2.2.3 Adsorption of Halogen Atoms: Sticking Coeﬃcient
andPotentialBarrier.................................. 26
2.2.4 Site-SelectiveAdsorption .............................. 34
2.2.5 Desorption of Silicon Halides and Restoration of the DAS
Structure ............................................ 39
2.2.6 Summary............................................ 48
2.3 Nanoscale Fabrication Processes of Silicon Surfaces with Halogens . 502.3.1 Introduction ......................................... 50
2.3.2 Scanning Tunneling Microscopy. . . . . . . . . . . . . . . . . . . . . . . . . 53
2.3.3 ThermalDesorptionProcess ........................... 56
2.3.4 ClusterAlignmentbyPassiveFabrication................ 62
2.3.5 ActiveFabrication .................................... 68
2.3.6 Summary............................................ 76
2.4 Self-Organized Nanopattern Formation on Copper Surfaces . . . . . . . 77
2.4.1 Introduction ......................................... 77
2.4.2 Experiments ......................................... 78
2.4.3 Novel Phenomena on Cu(001)–c(2×2)N.................. 79
2.4.4 Nanopattern Formation at Vicinal Surfaces . . . . . . . . . . . . . . 79
2.4.5 Strain-Dependent Nucleation of Metal Islands . . . . . . . . . . . . 82
2.4.6 Strain-Dependent DissociationofOxygenMolecules....... 85
2.4.7 Summary............................................ 88
References ...................................................... 893 Ultrafast Laser Spectroscopy Applicable
to Nano- and Micromaterials
J. Takeda ....................................................... 97
3.1 Introduction................................................ 97
3.2 Femtosecond Optical Kerr Gate Luminescence Spectroscopy . . . . . . 97
3.2.1 Time-Resolved Luminescence Spectroscopy:
Up-Conversion Technique vs. Opical Kerr Gate Method . . . 97
3.2.2 Femtosecond OKG Method: Experimental Setup
andResults .......................................... 99
3.3 Femtosecond Transient Grating Spectroscopy Combined
withaPhaseMask..........................................105
3.3.1 PrincipleofTransientGratingSpectroscopy..............105
3.3.2 Transient Grating Spectroscopy Combined with a Phase
Mask:ExperimentalSetupandResults ..................107
3.4 Femtosecond Real-Time Pump-Probe Imaging Spectroscopy . . . . . . 109
3.4.1 Principle of Real-Time Pump-Probe Imaging Spectroscopy . 109
3.4.2 Experimental Demonstrations of Real-Time Pump-ProbeImagingSpectroscopy .................................112
References ......................................................117
4 Defects in Anatase Titanium Dioxide
T. Sekiya and S. Kurita .......................................... 121
4.1 Introduction................................................121
4.2 GrowthofAnataseSingleCrystal .............................122
4.3 ControlofDefectStates......................................123
4.3.1 HeatTreatmentUnderOxygenPressure.................1234.3.2 Heat Treatment Under Hydrogen Atmosphere . . . . . . . . . . . . 124
4.4 PropertiesofAnatase........................................129
4.4.1 AbsorptionEdge......................................129
4.4.2 Photoluminescence....................................131
4.4.3 EPRSpectra.........................................132
4.4.4 Electric Conduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134
4.5 CarrierControlbyPhotoirradiation ...........................137
4.5.1 Photoconductivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137
4.5.2 EPR................................................138
References ......................................................140
5 Organic Radical 1,3,5-Trithia-2,4,6-Triazapentalenyl
(TTTA) as Strongly Correlated Electronic Systems:
Experiment and Theory
J. Takeda, Y. Noguchi, S. Ishii, and K. Ohno........................ 143
5.1 Introduction................................................143
5.2 Crystalline Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1445.3 Experimental ...............................................146
5.3.1 Paramagnetic Susceptibility
andElectronSpinResonance...........................146
5.3.2 Reﬂectivity ..........................................150
5.3.3 PhotoinducedMagneticPhaseTransition ................151
5.4 ElectronicStructureCalculations..............................157
5.4.1 ResultsWithintheLDA...............................157
5.4.2 Breakdownof theLDA................................161
5.4.3 T -MatrixTheory .....................................162
5.4.4 Results in the T -MatrixTheory ........................164
5.4.5 ConcludingRemarks ..................................167
References ......................................................168
6 Ab Initio GW Calculations Using
an All-Electron Approach
S. Ishii, K. Ohno, and Y. Kawazoe ................................. 171
6.1 Introduction................................................171
6.2 Many-Body Perturbation Theory and GW Approximation . . . . . . . . 1726.3 ChoiceofBasis-SetFunction..................................175
6.4 ApplicationtoClustersandMolecules .........................176
6.4.1 Alkali-MetalClusters..................................176
6.4.2 Semiconductor Clusters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178
6.4.3 Gallium Arsenide Clusters and Crystal . . . . . . . . . . . . . . . . . . 180
6.4.4 BenzeneMolecule.....................................183
6.4.5 Why Are LDA Eigenvalues of HOMO Level Shallower
ThanExperiments? ...................................184
6.5 Self-Consistent GW vs. First Iterative GW (G0W0)..............184
6.6 Appendix

roofofWTIdentity ..............................185
6.7 Summary ..................................................187
References ......................................................187
7 First-Principles Calculations Involving Two-Particle
Excited States of Atoms and Molecules
Using T -Matrix Theory
Y. Noguchi, S. Ishii, and K. Ohno ................................. 1897.1 Background ................................................189
7.2 Methodology: T -MatrixTheory ...............................191
7.3 DoubleElectronAﬃnityofAlkali-MetalClusters................193
7.3.1 Introduction .........................................193
7.3.2 Eﬀect of the Coulomb Interaction in the DEA Spectra . . . . . 193
7.3.3 Short-Range Repulsive Coulomb Interaction
Within the T -MatrixTheory...........................195
7.3.4 Summary............................................196
7.4 Double IonizationEnergySpectra .............................196
7.4.1 Introduction .........................................196
7.4.2 Two-Valence-ElectronSystems .........................1987.4.3 InertGasAtoms......................................199
7.4.4 CO and C2H2 Molecules...............................200
7.4.5 Summary............................................202
7.5 Two-Electron Distribution Functions and Short-Range
ElectronCorrelations ........................................202
7.5.1 Introduction .........................................202
7.5.2 Methodology.........................................204
7.5.3 Ar ..................................................204
7.5.4 CO .................................................206
7.5.5 CO2 ................................................208
7.5.6 C2H2 ................................................210
7.5.7 Summary............................................211
7.6 Summary ..................................................212
7.7 Appendix ..................................................213
7.7.1 Fourier Transformation of Green’s Function . . . . . . . . . . . . . . 2137.7.2 Fourier Transformation of K-Matrix ....................214
7.7.3 Fourier Transformation of T -Matrix.....................215
References ......................................................2168 Green’s Function Formulation
of Electronic Transport at Nanoscale
A.A. Farajian, O.V. Pupysheva, B.I. Yakobson, and Y. Kawazoe ....... 219
8.1 Introduction................................................219
8.2 Landauer’s Transport Formalism: The Green’s Function
Implementation.............................................220
8.2.1 MultichannelLandauer’sFormula.......................220
8.2.2 SurfaceGreen’sFunctionMatchingMethod..............221
8.2.3 ScatteringMatrixandTransportProperties..............223
8.2.4 Alternative Formulation of the Total Conductance . . . . . . . . 226
8.3 CarbonNanotubeHeterostructures............................227
8.3.1 Conductance of Nanotubes with Vacancy
or Pentagon–Heptagon Defects . . . . . . . . . . . . . . . . . . . . . . . . . 227
8.3.2 Doped Nanotube Junctions: Rectiﬁcation and Novel
Mechanism for Negative Diﬀerential Resistance . . . . . . . . . . . 230
8.3.3 Eﬀects of Random Disorder on Transport of Nanotubes . . . . 2348.4 Functional Molecule Between Two Metallic Contacts . . . . . . . . . . . . 235
8.4.1 Transport Through Xylyl-Dithiol Molecule Attached
toTwoGoldElectrodes ...............................235
8.4.2 Transport Through Benzene-Dithiol Molecule Attached
toTwoGoldElectrodes ...............................238
8.5 Summary ..................................................239
References ......................................................2409 Self-Assembled Quantum Dot Structure Composed
of III–V Compound Semiconductors
K. Mukai ....................................................... 243
9.1 Introduction................................................243
9.2 ControlofQDStructurebyGrowthCondition..................244
9.2.1 ControlofGrowthParameters..........................244
9.2.2 CloselyStackedQDs ..................................246
9.2.3 QDBuriedinStrainedLayer...........................248
9.3 GrowthProcessofQDStructure..............................252
9.4 AnalysisofQDStructure ....................................256
9.4.1 GrazingIncidenceX-RayScattering.....................256
9.4.2 Scanning Tunneling Microscopy. . . . . . . . . . . . . . . . . . . . . . . . . 258
9.5 SummaryandPerspective....................................259
References ......................................................260
10 Potential-Tailored Quantum Wells for High- Performance
Optical Modulators/SwitchesT. Arakawa and K. Tada ......................................... 263
10.1 Introduction................................................263
10.2 ParabolicPotentialQuantumWell ............................264
10.3 Graded-GapQuantumWell ..................................266
10.4 AsymmetricCoupledQuantumWell...........................268
10.5 IntermixingQuantumWell ...................................271
10.6 Summary ..................................................272
References ......................................................27211 Thermodynamic Properties of Materials Using Lattice-Gas
Models with Renormalized Potentials
R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe ................... 275
11.1 Introduction................................................275
11.2 SchemeofthePotentialRenormalization.......................276
11.3 ApplicationofthePotentialRenormalization ...................278
11.3.1 ApplicationtoMeltingBehaviorofSi ...................278
11.3.2 ApplicationtoCu–AuPhaseDiagram...................282
11.3.3 ApplicationtoTransitionandNobleMetals ..............286
11.3.4 Order–Disorder Phase Transition of L10 FePt Alloy Using
the Renormalized Potential Combined
withFirst-PrinciplesCalculations.......................287
11.4 Summary ..................................................289
References ......................................................28912 Optically Driven Micromachines for Biochip Application
S. Maruo ....................................................... 291
12.1 Introduction................................................291
12.1.1 Two-Photon Microstereolithography for Production
of3DMicromachines..................................29212.1.2 Assembly-Free, Single-Step Fabrication Process of
MovableMicroparts...................................293
12.2 OpticallyDrivenMicromachines ..............................296
12.2.1 OpticalTrapping .....................................296
12.2.2 Optical Driving Method of Multiple Micromachines . . . . . . . 298
12.2.3 OptimizationofTime-DividedLaserScanning............300
12.2.4 CooperativeControlofMicromanipulators ...............302
12.2.5 OpticallyDrivenMicropump...........................303
12.2.6 ConceptofAll-OpticallyControlledBiochip..............307
12.3 ConclusionandFutureProspect ..............................307
References ......................................................308
13 Study of Complex Plasmas
M. Shindo and O. Ishihara ........................................ 311
13.1 OverviewofComplexPlasmaResearch ........................311
13.2 ChargingofaDustParticleinaPlasma .......................312
13.3 Measurements of the Charge of Dust Particles Levitating inElectronBeamPlasma[12] ...................................313
13.4 Various Approaches to Plasma-Aided Design
ofMicroparticlesSysteminIonFlow ..........................315
13.4.1 Analysis of Ion Trajectories Around a Dust Particle in Ion
Flow[17] ............................................316
13.4.2 Wake Potential Formation
to Bind Dust Particles Aligned Along Ion Flow . . . . . . . . . . . 318
13.4.3 Attractive Force Between Dust Particles Aligned
Perpendicular toIonFlow[30]..........................320
13.5 Simulation Study of Cluster Design
ofChargedDustParticles ....................................321
13.6 Complex Plasma ExperimentinCryogenicEnvironment[38] ................................323
13.7 Summary ..................................................325
References ......................................................326
Index ..........................................................329[ Last edited by hongliushu03 on 2012-6-14 at 20:34 ]

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