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• W2904974296 abstract "Abstract Point defect research in semiconductors has gained remarkable new momentum due to the identification of special point defects that can implement qubits and single photon emitters with unique characteristics. Indeed, these implementations are among the few alternatives for quantum technologies that may operate even at room temperature, and therefore discoveries and characterization of novel point defects may highly facilitate future solid state quantum technologies. First principles calculations play an important role in point defect research, since they provide a direct, extended insight into the formation of the defect states. In the last decades, considerable efforts have been made to calculate spin-dependent properties of point defects from first principles. The developed methods have already demonstrated their essential role in quantitative understanding of the physics and application of point defect qubits. Here, we review and discuss accuracy aspects of these novel ab initio methods and report on their most relevant applications for existing point defect qubits in semiconductors. We pay attention to the advantages and limitations of the methodological solutions and highlight additional developments that are expected in the near future. Moreover, we discuss the opportunity of a systematic search for potential point defect qubits, as well as the possible development of predictive spin dynamic simulations facilitated by ab initio calculations of spin-dependent quantities." @default.
• W2904974296 created "2018-12-22" @default.
• W2904974296 creator A5011460176 @default.
• W2904974296 creator A5072682771 @default.
• W2904974296 creator A5090669667 @default.
• W2904974296 date "2018-12-12" @default.
• W2904974296 modified "2023-10-17" @default.
• W2904974296 title "First principles calculation of spin-related quantities for point defect qubit research" @default.
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