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Intro; Preface; Elemental 2D Materials Beyond Graphene; Contents; Contributors; 1 A Vision on Organosilicon Chemistry and Silicene; 1.1 Aromatic Molecules and Silicon Substituted Cyclic Rings; 1.2 Chemical Bonding: Unsaturated Carbon Systems Versus Silicon Systems; 1.3 Effect of Buckling Distortions in Si6 Rings: The Psuedo Jahn-Teller (PJT) Effect; 1.4 Chemical Functionalization on Silicon Rings to Make Them Planar; 1.5 Electron and Hole Transport in Silicene; 1.6 Reactivity of Silicene Towards Hydrogen and Band Gap Tuning
1.7 Tip Enhanced Raman Spectroscopy (TERS) as a Probe for the Buckling Distortion in SiliceneReferences; 2 Density-Functional and Tight-Binding Theory of Silicene and Silicane; 2.1 Introduction; 2.2 First-Principles Theory of Silicene and Silicane; 2.2.1 Structure, Stability, and Electronic Band Structure of Silicene; 2.2.2 Structure, Stability, and Electronic Band Structure of Silicane; 2.3 Tight-Binding Description of Silicene and Silicane; 2.3.1 All-Valence Tight-Binding Model of Silicene; 2.3.2 All-Valence Tight-Binding Model of Silicane
2.4 Silicene in a Transverse External Electric Field2.5 SO Coupling and Topological Phase Transition in Silicene; 2.5.1 SO Induced Band Gap in Silicene; 2.5.2 Transition from Topological Insulator to Band Insulator State; 2.6 Summary; References; 3 Electronic and Topological Properties of Silicene, Germanene and Stanene; 3.1 Introduction; 3.2 Graphene and Silicene; 3.2.1 Graphene; 3.2.2 Silicene and Tunable Band Gap; 3.2.3 Generalized Dirac Mass Terms; 3.3 Berry Curvature and Chern Number; 3.3.1 TKNN Formula; 3.3.2 Berry Curvature in Centrosymmetric System; 3.3.3 Pontryagin Number
3.3.4 Classification of Topological Insulators3.4 Topological Edges; 3.4.1 Bulk-Edge Correspondence; 3.4.2 Herical Edges and Chiral Edges; 3.4.3 Inner Edges; 3.4.4 Topological Kirchhoff Law; 3.5 Topological Quantum Field-Effect Transistor; 3.6 Impurity Effects to Topological Quantum Field-Effect Transistor; 3.6.1 QSH Phase; 3.6.2 QVH Phase; 3.7 Phosphorene and Anisotropic Honeycomb Lattice; 3.7.1 Band Structure of Anisotropic Honeycomb Nanoribbons; 3.7.2 Topological Origin of Flat Bands; 3.7.3 Wave Function and Energy Spectrum of Edge States; References
4 Optical Properties of Silicene and Related Materials from First Principles4.1 Introduction; 4.2 Theoretical and Numerical Methods; 4.2.1 Atomic and Electronic Structure; 4.2.2 Frequency-Dependent Dielectric Function; 4.2.3 Dielectric Function and Optical Conductivity of Individual Sheets; 4.2.4 Optical Properties of Atomically Thin Films; 4.3 Spectra of Silicene, Germanene, and Stanene; 4.3.1 Influence of Many-Body Effects; 4.3.2 General Frequency Dependence; 4.3.3 Low-Frequency Absorbance; 4.3.4 Influence of Spin-Orbit Interaction
1.7 Tip Enhanced Raman Spectroscopy (TERS) as a Probe for the Buckling Distortion in SiliceneReferences; 2 Density-Functional and Tight-Binding Theory of Silicene and Silicane; 2.1 Introduction; 2.2 First-Principles Theory of Silicene and Silicane; 2.2.1 Structure, Stability, and Electronic Band Structure of Silicene; 2.2.2 Structure, Stability, and Electronic Band Structure of Silicane; 2.3 Tight-Binding Description of Silicene and Silicane; 2.3.1 All-Valence Tight-Binding Model of Silicene; 2.3.2 All-Valence Tight-Binding Model of Silicane
2.4 Silicene in a Transverse External Electric Field2.5 SO Coupling and Topological Phase Transition in Silicene; 2.5.1 SO Induced Band Gap in Silicene; 2.5.2 Transition from Topological Insulator to Band Insulator State; 2.6 Summary; References; 3 Electronic and Topological Properties of Silicene, Germanene and Stanene; 3.1 Introduction; 3.2 Graphene and Silicene; 3.2.1 Graphene; 3.2.2 Silicene and Tunable Band Gap; 3.2.3 Generalized Dirac Mass Terms; 3.3 Berry Curvature and Chern Number; 3.3.1 TKNN Formula; 3.3.2 Berry Curvature in Centrosymmetric System; 3.3.3 Pontryagin Number
3.3.4 Classification of Topological Insulators3.4 Topological Edges; 3.4.1 Bulk-Edge Correspondence; 3.4.2 Herical Edges and Chiral Edges; 3.4.3 Inner Edges; 3.4.4 Topological Kirchhoff Law; 3.5 Topological Quantum Field-Effect Transistor; 3.6 Impurity Effects to Topological Quantum Field-Effect Transistor; 3.6.1 QSH Phase; 3.6.2 QVH Phase; 3.7 Phosphorene and Anisotropic Honeycomb Lattice; 3.7.1 Band Structure of Anisotropic Honeycomb Nanoribbons; 3.7.2 Topological Origin of Flat Bands; 3.7.3 Wave Function and Energy Spectrum of Edge States; References
4 Optical Properties of Silicene and Related Materials from First Principles4.1 Introduction; 4.2 Theoretical and Numerical Methods; 4.2.1 Atomic and Electronic Structure; 4.2.2 Frequency-Dependent Dielectric Function; 4.2.3 Dielectric Function and Optical Conductivity of Individual Sheets; 4.2.4 Optical Properties of Atomically Thin Films; 4.3 Spectra of Silicene, Germanene, and Stanene; 4.3.1 Influence of Many-Body Effects; 4.3.2 General Frequency Dependence; 4.3.3 Low-Frequency Absorbance; 4.3.4 Influence of Spin-Orbit Interaction