| Preface | p. vii |
| Fundamental Concepts and Methods | p. 1 |
| Introduction | p. 1 |
| The Silicon Age | p. 3 |
| The omnipresent silicon | p. 4 |
| The MOS technology | p. 7 |
| Miniaturization | |
| Technological MOS processes | |
| Methods of Modern Surface Science | p. 14 |
| Theoretical techniques | p. 15 |
| Approximations in ab initio studies | |
| Convergency issues | |
| Tight-binding methods | |
| Experimental techniques | p. 28 |
| Scanning Tunneling Microscopy (STM) and Spectroscopy (STS) | |
| Atomic Force Microscope (AFM) | |
| Low Energy Electron Diffraction (LEED) | |
| Auger Electron Spectroscopy (AES) | |
| X-Ray Photoelectron Spectroscopy (XPS) | |
| Ultraviolet Photoelectron Spectroscopy (UPS) | |
| Absorption and Diffraction of X-Rays | |
| Ion Spectroscopies | |
| High Resolution Electron Energy Loss Spectroscopy (HREELS) | |
| Other Surface Science Techniques | |
| Silicon Surfaces and Interfaces | p. 45 |
| Fundamental concepts | p. 46 |
| Ideal Truncated bulk and surface energy | |
| Realistic clean surfaces | |
| Free surfaces | p. 53 |
| Defects on the surface and in the bulk | |
| Adsorption and epitaxial growth | |
| Desorption, etching, cleaning, cleaving | |
| Buried interfaces | p. 65 |
| Primary Silicon Surfaces and Their Vicinals | p. 67 |
| Structures of Si(001) | p. 68 |
| Structures of Si(111) | p. 69 |
| Si(11n) surfaces | p. 73 |
| Structures of Si(113) | p. 74 |
| Structures of Si(110) | p. 78 |
| The Famous Reconstruction of Si(001) | p. 82 |
| Introduction | p. 82 |
| Overview: expectations bias our predictions | p. 84 |
| Pre-STM Era: Groping through the Dark | p. 87 |
| Early observations and models | p. 88 |
| The first idea: 2 [times] 1 order of dimers | |
| The first alternative and the first puzzle | |
| Dimers, chains, vacancies, or maybe something else? | p. 93 |
| Soft phonons, double bonds, and rediscoveries | |
| New data: electronic structure | |
| New models and new arguments against dimers | |
| LEEd and subsurface strain | |
| The mysterious fourfold periodicity strikes back | p. 99 |
| Buckling of dimers | p. 100 |
| Chadi's buckled dimers | |
| Buckling supported by experiments | |
| Buckling supported by theory | |
| Simple models lose some credit | p. 102 |
| Quantum chemistry reports problems | |
| Pandey's missing dimers | |
| Northrup's chain-dimer model | |
| To Buckle or Not to Buckle? | p. 107 |
| The first group photo of dimers | p. 107 |
| What did STM reveal | |
| What STM could not reveal | |
| Electronic structure attracts more attention | p. 109 |
| Problems with the band gap | |
| Seeing is believing | p. 112 |
| The sobering variety of opinions | p. 115 |
| A Clear Picture Finally Emerges | p. 117 |
| Reconciliations | p. 117 |
| Completing the picture | p. 120 |
| Conclusions and Summary | p. 122 |
| What did we learn | p. 122 |
| What is still missing | p. 124 |
| Geometries of Clean Si(001) | p. 127 |
| Introduction | p. 127 |
| Perfect Si(001) | p. 130 |
| The [001]-truncated bulk | p. 131 |
| Atomic structures | p. 133 |
| Dimerization | |
| Buckling of dimers | |
| Bond angles and dimer bond length | |
| Surface stress | |
| Electronic structures | p. 142 |
| Electronic states of a dimer and the 2 [times] 1 bands | |
| The c(4 [times] 2) surface bands | |
| Interpretation of photoemission data | |
| Photoemission data: open questions | |
| Scanning tunneling microscopy | |
| Core states and surface core level shifts | |
| Surface Defects | p. 155 |
| Point defects | p. 155 |
| Surface steps and vicinal Si(001) | p. 171 |
| Monatomic steps | |
| Biatomic steps | |
| Metastable Structures | p. 194 |
| Si(001) 2 [times] n | p. 194 |
| Si(001) c(4 [times] 4) | p. 198 |
| Translational domain boundaries | p. 201 |
| Evolution of Clean Si(001) | p. 205 |
| Introduction | p. 205 |
| Surface Diffusion | p. 206 |
| Isolated mobile objects on clean Si(001) | p. 207 |
| Monomers and their diffusion | |
| Ad-dimers and their diffusion | |
| Diffusion of dimer vacancies | |
| Interactions between mobile objects on Si(001) | p. 216 |
| Interaction between monomers | |
| Monomer-ad-dimer and ad-dimer-ad-dimer interactions | |
| Interaction between dimer vacancies | |
| Interaction of vacancies with ad-dimers and monomers | |
| Interactions between mobile objects and Si(001) steps | p. 222 |
| Surface Vibrations and Phase Transitions | p. 237 |
| Surface transitions on the flat Si(001) | p. 238 |
| Structures, vibrations, and the Ising hamiltonian | |
| Stability of phases | |
| Influence of surface point defects | |
| Influence of surface steps | |
| Vicinal Si(001): phase transitions, interaction of steps | p. 249 |
| Deposition and Sublimation of Si | p. 256 |
| Adsorption on Silicon Surfaces | p. 262 |
| Introduction | p. 262 |
| Hydrogen: Passivation and Etching | p. 264 |
| Hydrogen adsorption, etching, and structures on Si(001) | p. 265 |
| Desorption of hydrogen and buckling of dimers | p. 269 |
| Hydrogen and epitaxial growth | p. 275 |
| Halogens: Etching | p. 277 |
| Fluorine and hydrofluoric acid | p. 278 |
| Chlorine, bromine and iodine | p. 282 |
| Oxygen: Isolation and Protection | p. 286 |
| Oxygen and its bonds with silicon | p. 288 |
| Adsorption of O[subscript 2] on Si(001) | p. 289 |
| Adsorption sites of atomic oxygen on Si(001) | p. 290 |
| Silanone complexes and silicon ejection | |
| Oxygen atoms in Si-Si bonds | |
| Surface defects and initial stages of oxidation | |
| Active etching and passive oxidation | p. 294 |
| Water: UHV Pest and a Renowned Oxidant | p. 296 |
| Water, ice, and hydrogen bonds | p. 298 |
| Adsorption and dissociation of water | p. 301 |
| Oxidation and etching by water | p. 304 |
| Nitrogen: a Hope for a Better Gate Dielectric | p. 308 |
| Nitrogen, silicon nitride, and related materials | p. 311 |
| Adsorption of nitrogen-containing molecules | p. 314 |
| Nitridation of silicon | p. 318 |
| Transition Metals: Contacts, Dielectrics, Impurities | p. 322 |
| Transition metal silicides on silicon | p. 324 |
| Titanium, tungsten, and platinum silicides | |
| CaF[subscript 2] structures: Ni and Co disilicides and interfaces | |
| Nickel on silicon surfaces | p. 335 |
| Titanium on Si(001) | p. 339 |
| Transition metal oxides: new gate dielectrics? | p. 341 |
| On the Road to Devices: SiO[subscript 2]/Si(001) | p. 344 |
| Introduction | p. 344 |
| Silicon Dioxide in Nature and Technology | p. 346 |
| Silicon dioxide, SiO[subscript 2] | p. 348 |
| SiO[subscript 2]/Si(001): MOS technology views and limits | p. 352 |
| Preparation of Oxide Films | p. 357 |
| Native oxides and oxidation by chemical etch | p. 359 |
| Thermal oxidation | p. 362 |
| Growth by deposition | p. 366 |
| Nitridation and oxynitridation | p. 367 |
| Silicon dioxide film morphology | p. 372 |
| Pinholes | |
| Stress field in SiO[subscript 2] | |
| Microcrystallites and homogeneity | |
| Post-oxidation treatments | p. 375 |
| Isolation techniques | p. 377 |
| Models of Thermal Oxidation | p. 380 |
| Deal-Grove model of growth rate | p. 382 |
| Beyond the Deal-Grove model | p. 384 |
| Diffusing and reacting species | |
| Space-charges, stress, and defects | |
| The practical approach | |
| Formation and Structures of SiO[subscript 2]/Si Interfaces | p. 391 |
| Interface formation: a simple analysis | p. 394 |
| Atomic structures of SiO[subscript 2]/Si(001) | p. 398 |
| Non-stoichiometric layer: SiO[subscript x] | |
| Three classes of SiO[subscript 2]/Si(001) models | |
| Tridymite-based models | |
| Cristobalite-based models | |
| Random network interface | |
| Electronic states in the gap | p. 406 |
| Oxide defects and growth of the oxide | p. 408 |
| Growth at low temperatures | |
| Effect of high temperatures | |
| Defects, regrowth, and stress | |
| Reactions at the interface and in the oxide film | p. 412 |
| Main reactions during oxidation | |
| Chlorine and fluorine: dielectric strength, dopant diffusion | |
| Dopants: Fermi level, penetration, segregation | |
| Hydrogen, nitrogen, oxygen: control of stress and traps | |
| Practical Quality Issues of SiO[subscript 2]/Si | p. 429 |
| Experimental access | p. 429 |
| Influence on device parameters | p. 430 |
| Oxide failure and leakage current | |
| Drive current and high-frequency performance | |
| Instabilities and noise | |
| Threshold voltage | |
| Afterword | p. 445 |
| Do We Need an Afterword? | p. 445 |
| A Glance Behind | p. 446 |
| Fundamental Science in a Commercial World | p. 447 |
| The dangers of commercialization | p. 448 |
| Can science be saved? | p. 449 |
| Science for technology | p. 450 |
| Science for all | p. 452 |
| How Can Silicon Surfaces Contribute? | p. 458 |
| Overview and Summary | p. 460 |
| References | p. 463 |
| Author Index | p. 507 |
| Subject Index | p. 533 |
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