Quantum transport simulation

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Table of contents

1 Introduction 
1.1 Trends of micro/nanoelectronics
1.2 Power consumption issues
1.3 Tunnel field-effect transistors
1.4 Quantum transport simulations
2 Brief Introduction to 2-D Materials 
2.1 History of 2-D material research
2.2 Basics of 2DMs
2.2.1 Electronic properties of graphene
2.2.2 Crystal structures of other 2DMs
2.2.3 Electronic properties of 2-D TMDs
2.3 Synthesis of 2DMs
2.3.1 Mechanical exfoliation
2.3.2 Liquid-phase exfoliation
2.3.3 Chemical vapor deposition
2.3.4 Molecular beam epitaxy
2.4 Applications
2.4.1 Digital applications
2.4.2 Analog and high-frequency applications
2.4.3 Optoelectronics
2.4.4 Flexible electronics
3 Quantum Transport Model 
3.1 A brief review of quantum mechanics
3.1.1 Second quantization
3.1.2 Field operators
3.1.3 Basis transformation
3.1.4 The density operator
3.1.5 Hamiltonian operator
3.1.6 Schrödinger equation
3.1.7 Evolution operator and time-ordering
3.1.8 Heisenberg picture
3.1.9 Contour ordering
3.2 Non-equilibrium Green’s function formalism
3.2.1 Definition of Green’s function
3.2.2 Equation of motion
3.2.3 Self-energy
3.2.4 Other Green’s functions
3.2.5 Steady-state condition
3.3 Observables
3.3.1 Charge
3.3.2 Local density of states
3.3.3 Current
3.4 Self-energies
3.4.1 Electron-electron interaction
3.4.2 Electron-phonon interactions
3.5 Summary
4 Implementation of Quantum Transport Model 
4.1 NEGF for layered structures
4.1.1 Semi-infinite leads
4.1.2 Recursive algorithm for device region
4.1.3 Phonon self-energies
4.2 Adaptive energy integration
4.3 Structure of the codes
5 Vertical Tunnel-FETs based on 2-D materials 
5.1 Device description
5.2 Calibration of the model
5.3 Results and discussion
5.3.1 Role of doping and back-gate potential
5.3.2 Role of top gate extension region
5.3.3 Effective mass
5.3.4 Scalability of device
5.3.5 Delay and energy metrics
5.4 Summary
6 Van der Waals Tunnel-FETs: 3-D quantum-transport simulations 
6.1 Device description
6.2 Simulation model
6.2.1 Model Hamiltonian
6.2.2 Calibration of tunneling coefficient
6.2.3 Transport model
6.3 Results and discussions
6.3.1 Effect of the top gate extension
6.3.2 Effect of the overlap length
6.3.3 Effect of back-oxide thickness
6.3.4 Effect of inelastic scattering
6.3.5 Large overdrive regime
6.4 Comparison of delay and energy metrics
6.5 Summary
7 Impact of rotational misalignment on the performance of vdW-TFETs 
7.1 Simulation model
7.2 Results and discussions
7.2.1 Effect of rotation angle
7.2.2 Effect of phonons
7.3 Summary
8 Conclusion and Outlook