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Silicene Prediction, Synthesis, Application

:	Patrick Vogt, Guy Le Lay
:	Silicene Prediction, Synthesis, Application
:	Springer-Verlag
:	9783319999647
:	1
:	CHF 129.30
:

:	Sonstiges
:	English

:	285
:	Wasserzeichen/DRM
:	PC/MAC/eReader/Tablet
:	PDF

This book discusses the processing and properties of silicene, including the historical and theoretical background of silicene, theoretical predictions, the synthesis and experimental properties of silicene and the potential applications and further developments. It also presents other similar monolayer materials, like germanene and phosphorene.

Sili ene, a new silicon allotrope with a graphene-like, honeycomb structure, has recently attracted considerable interest, because its topology affords it the same remarkable electronic properties as those of graphene. Additionally, silicene may have the potential advantage of being easily integrated in current Si-based nano/micro-electronics, offering novel technological applications.

Silicene was theoretically conjectured a few years ago as a stand-alone material. However, it does not exist in nature and had to be synthesized on a substrate. It has since been successfully synthesized and multi-layer silicene structures are already being discussed. Within just a few years, silicene is now on the brink of technological applications in electronic devices.

	Preface	6
	Elemental 2D Materials Beyond Graphene	6
	Contents	9
	Contributors	15
	1 A Vision on Organosilicon Chemistry and Silicene	18
	1.1 Aromatic Molecules and Silicon Substituted Cyclic Rings	18
	1.2 Chemical Bonding: Unsaturated Carbon Systems Versus Silicon Systems	22
	1.3 Effect of Buckling Distortions in Si6 Rings: The Psuedo Jahn-Teller (PJT) Effect	24
	1.4 Chemical Functionalization on Silicon Rings to Make Them Planar	26
	1.5 Electron and Hole Transport in Silicene	28
	1.6 Reactivity of Silicene Towards Hydrogen and Band Gap Tuning	30
	1.7 Tip Enhanced Raman Spectroscopy (TERS) as a Probe for the Buckling Distortion in Silicene	33
	References	37
	2 Density-Functional and Tight-Binding Theory of Silicene and Silicane	39
	2.1 Introduction	39
	2.2 First-Principles Theory of Silicene and Silicane	41
	2.2.1 Structure, Stability, and Electronic Band Structure of Silicene	41
	2.2.2 Structure, Stability, and Electronic Band Structure of Silicane	44
	2.3 Tight-Binding Description of Silicene and Silicane	46
	2.3.1 All-Valence Tight-Binding Model of Silicene	46
	2.3.2 All-Valence Tight-Binding Model of Silicane	47
	2.4 Silicene in a Transverse External Electric Field	50
	2.5 SO Coupling and Topological Phase Transition in Silicene	53
	2.5.1 SO Induced Band Gap in Silicene	53
	2.5.2 Transition from Topological Insulator to Band Insulator State	54
	2.6 Summary	55
	References	55
	3 Electronic and Topological Properties of Silicene, Germanene and Stanene	58
	3.1 Introduction	58
	3.2 Graphene and Silicene	59
	3.2.1 Graphene	60
	3.2.2 Silicene and Tunable Band Gap	61
	3.2.3 Generalized Dirac Mass Terms	64
	3.3 Berry Curvature and Chern Number	64
	3.3.1 TKNN Formula	64
	3.3.2 Berry Curvature in Centrosymmetric System	66
	3.3.3 Pontryagin Number	68
	3.3.4 Classification of Topological Insulators	69
	3.4 Topological Edges	70
	3.4.1 Bulk-Edge Correspondence	70
	3.4.2 Herical Edges and Chiral Edges	71
	3.4.3 Inner Edges	71
	3.4.4 Topological Kirchhoff Law	73
	3.5 Topological Quantum Field-Effect Transistor	74
	3.6 Impurity Effects to Topological Quantum Field-Effect Transistor	77
	3.6.1 QSH Phase	78
	3.6.2 QVH Phase	78
	3.7 Phosphorene and Anisotropic Honeycomb Lattice	80
	3.7.1 Band Structure of Anisotropic Honeycomb Nanoribbons	81
	3.7.2 Topological Origin of Flat Bands	83
	3.7.3 Wave Function and Energy Spectrum of Edge States	85
	References	85
	4 Optical Properties of Silicene and Related Materials from First Principles	87
	4.1 Introduction	88
	4.2 Theoretical and Numerical Methods	88
	4.2.1 Atomic and Electronic Structure	88
	4.2.2 Frequency-Dependent Dielectric Function	90
	4.2.3 Dielectric Function and Optical Conductivity of Individual Sheets	91
	4.2.4 Optical Properties of Atomically Thin Films	94
	4.3 Spectra of Silicene, Germanene, and Stanene	97
	4.3.1 Influence of Many-Body Effects	97
	4.3.2 General Frequency Dependence	99
	4.3.3 Low-Frequency Absorbance	100
	4.3.4 Influence of Spin-Orbit Interaction	103
	4.3.5 Reflection, Transmission, and Absorption: Global Spectra	105
	4.4 Influence of Multiple Layers	106
	4.4.1 Graphene Bilayer	106
	4.4.2 Silicene Bilayers	108
	4.5 Summary and Conclusions	110
	References	111
	5 Synthesis of Silicene	113
	5.1 Introduction	113
	5.2 The Silver Track	114
	5.3 Ag(111) Mimicking a Honeycomb Lattice	117
	5.4 Growth Mode and Structure Formation of Si on the Ag(111) Surface	117
	5.5 Multilayer Silicene	120
	5.6 Silicene Segregated on ZrB2 Thin Films	123
	5.7 Synthesis of Silicene on Other Metallic Substrates	124
	5.8 Concluding Remarks	125
	References	125
	6 Si Nanoribbons: From 1D to 3D Nanostructures	128
	6.1 Introduction	128
	6.2 Silicene Nanoribbons: From a Theoretical Point of View	129
	6.3 The Birth of SiNRs: 1D, 2D and 3D Silicene Nano-structures on Ag(110)	131
	6.3.1 Isolated SiNRs and Nanodots	131
	6.3.2 Two-Dimensional Array of SiNRs	132
	6.4 Oxidation of Isolated SiNRs on Ag(110)	132
	6.5 Electronic Properties of 1D SiNRs and 2D Arrays of SiNRs	134
	6.6 Multilayer SiNRs	134
	6.7 Discussion	136
	6.8 Summary	139
	References	139
	7 Properties of Monolayer Silicene on Ag(111)	141
	7.1 Introduction	141
	7.2 Expected Properties of Epitaxial Silicene	143
	7.3 Formation of 2D Si-Structures on Ag(111)	144
	7.3.1 Temperature-Dependence of the Si Growth on Ag(111)	146
	7.4 Epitaxial (3times3) Silicene	149
	7.4.1 Atomic Structure	149
	7.4.2 Electronic Properties	155
	7.4.3 Vibrational Properties	157
	7.4.4 Temperature Dependence of the Vibrational Modes	161
	7.4.5 Electron-Phonon Coupling	163
	7.5 Other 2D Si Phases on Ag(111)	164
	7.5.1 The Si-(sqrt13timessqrt13) Phase