Theoretical polarization of zero phonon lines in point defects

Abstract

In quantum technologies, point defects in semiconductors are becoming more significant. Understanding the frequency, intensity, and polarization of the zero phonon line is important. The last two properties are the subject of this paper. I present a method for calculating these properties and show the importance of using wave functions from both the ground and excited state. The validity of this method is demonstrated on the divacancy in 4H-SiC. Here, the calculated polarization and lifetimes are in excellent agreement with experimental measurements. In general, this method can help to identify point defects and estimate suitable applications.

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• Polarization dynamics of solid-state quantum emitters
• Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles
• Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications
• Identifying electronic transitions of defects in hexagonal boron nitride for quantum memories
• The Chlorine Vacancy in 4H-SiC: An NV-like Defect With Telecom Emission
• Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database
• Temperature dependence of the AB-lines and Optical Properties of the Carbon-Antisite Vacancy Pair in 4H-SiC
• GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
• First-principles computational methods for quantum defects in two-dimensional materials: A perspective
• NV-like Defects More Common Than Four-Leaf Clovers: A Perspective on High-Throughput Point Defect Data