Point defects may introduce defect levels into the fundamental bandgap of the host semiconductors that alter the electrical properties of the material. As a consequence, the in-gap defect levels and states automatically lower the threshold energy of optical excitation associated with the optical gap of the host semiconductor. It is, therefore, a common assumption that solid-state defect emitters in semiconductors ultimately alter the conductivity of the host. This study demonstrate, on a particular defect in 4H silicon carbide, that an unrecognized class of point defects exists that are optically active but electrically inactive in the ground state.

Silicon-based color-centers (SiCCs) have recently emerged as quantum-light sources that can be combined with telecom-range Si Photonics platforms. Unfortunately, using conventional SiCC fabrication schemes, deterministic control over the vertical emitter position is impossible due to the stochastic nature of the required ion-implantation(s). To overcome this bottleneck toward high-yield integration, a radically innovative creation method is demonstrated for various SiCCs with excellent optical quality, solely relying on the epitaxial growth of Si and C-doped Si at atypically-low temperatures in an ultra-clean growth environment. These telecom emitters can be confined within sub-nm thick epilayers embedded within a highly crystalline Si matrix at arbitrary vertical positions. Tuning growth conditions and doping, different well-known SiCC types can be selectively created, including W-centers, T-centers, G-centers, and, especially, a so far unidentified derivative of the latter, introduced as G'-center. The zero-phonon emission from G'-centers at ≈1300 nm can be conveniently tuned by the C-concentration, leading to a systematic wavelength shift and linewidth narrowing toward low emitter densities, which makes both, the epitaxy-based fabrication and the G'-center particularly promising as integrable Si-based single-photon sources and spin-photon interfaces.

Among the wealth of single fluorescent defects recently detected in silicon, the G center catches interest for its telecom single-photon emission that could be coupled to a metastable electron spin triplet. The G center is a unique defect where the standard Born-Oppenheimer approximation used in solid-state physics breaks down as one of its atoms, a silicon atom in interstitial position Si(i), can move between six sites. The impact of its displacement, due either to coherent tunneling or to random jumps from one site to another, on the optical properties of G centers is still largely unknown, especially in silicon-on-insulator (SOI) samples. Here, we investigate the displacement of the center of mass of the G center in silicon. By performing photoluminescence experiments at single-defect scale, we show that individual G defects in SOI exhibit several emission dipoles and zero-phonon line fine structures with splittings up to approximately 1 meV, both indicating a motion of the defect central atom over time. Combining polarization and spectral analysis at the single-photon level, we evidence that the reconfiguration dynamics is drastically different from the one of the unperturbed G center in bulk silicon where the mobile atom is fully delocalized over all six sites through tunneling. The SOI structure freezes the Si(i) delocalization of the G defect and, as a result, enables one to isolate linearly polarized optical lines. Under above-band-gap optical excitation, the central atom of G centers in SOI behaves as if it were in a six-slot roulette wheel, randomly alternating between localized crystal sites at each optical cycle. Comparative measurements in a bulk silicon sample and ab initio calculations highlight that strain is likely the dominant perturbation impacting the G center geometry. These results shed light on the importance of the atomic reconfiguration dynamics to understand and control the photoluminescence properties of the G center in silicon. More generally, these findings emphasize the impact of strain fluctuations inherent to SOI wafers for future quantum integrated photonics applications based on color centers in silicon.

First-principles calculations of defects and electron–phonon interactions play a critical role in the design and optimization of materials for electronic and optoelectronic devices. The late Audrius Alkauskas made seminal contributions to developing rigorous first-principles methodologies for the computation of defects and electron–phonon interactions, especially in the context of understanding the fundamental mechanisms of carrier recombination in semiconductors. Alkauskas was also a pioneer in the field of quantum defects, helping to build a first-principles understanding of the prototype nitrogen-vacancy center in diamond, as well as identifying novel defects. Here, we describe the important contributions made by Alkauskas and his collaborators and outline fruitful research directions that Alkauskas would have been keen to pursue. Audrius Alkauskas’ scientific achievements and insights highlighted in this article will inspire and guide future developments and advances in the field.