Development of Theoretical Approaches for Post-Silicon Information Processing.
| Main Author: | |
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| Format: | eBook |
| Language: | English |
| Published: |
Linköping :
Linkopings Universitet,
2016.
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| Edition: | 1st ed. |
| Series: | Linköping Studies in Science and Technology. Dissertations Series
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| Subjects: | |
| Online Access: | Click to View |
Table of Contents:
- Intro
- Abstract
- Popular science summary
- Populärvetenskaplig sammanfattning
- Preface
- Acknowledgements
- Contents
- Introduction
- Silicon and post-silicon information processing
- Essential requirements and possible implementations of quantum information processing
- Theoretical challenges in the defect spin implementation
- Aim of my research
- Theoretical approaches in solid state qubit studies
- Ab initio methods
- Basic equations and approximations
- Density functional theory
- The exchange and correlation functional
- Model spin Hamiltonians
- Spin Hamiltonian of important solid state qubits
- Group theory considerations
- Basic definitions
- Representations
- Group of the wave vector
- Character tables and product tables
- Hybrid-DFT+Vw scheme
- Analogy of generalized Kohn-Sham and quasi-particles
- Theoretical unification of hybrid-DFT and DFT+U methods for the treatment of localized orbitals
- Limitations of hybrid functionals in mixed systems
- Zero-field-splitting tensor calculation
- Implementation of zero-field-splitting tensor calculation
- Application in qubit characterization
- Temperature and pressure dependence
- Model of dynamic nuclear polarization
- Basic properties of electron and nuclear spin hybrid registers in diamond and SiC
- Simple model of dynamic nuclear polarization
- Comprehensive theoretical model of DNP
- DNP in SiC
- Ground state DNP of weakly coupled hybrid registers
- Group theory approaches
- Carbon antisite-vacancy pair
- Dirac points in novel 2D materials
- Conclusions and outlook
- The hybrid-DFT+Vw scheme
- Zero-field-splitting calculation
- Dynamic nuclear spin polarization
- Bibliography
- List of included Publications
- Related, not included publications
- Summary of included papers.