AI 中文总结
该研究通过理论计算发现天然层状硅酸盐滑石可作为基质，实现具有稳定电信C波段发射的掺铒量子中心，为集成光子学提供新平台。
AI 中文摘要
铒离子是量子网络最具前景的固态单光子发射器和自旋-光子界面之一，在许多基质半导体中可直接在电信C波段发射。近期，为寻找可扩展、低噪声的基质材料，研究转向原子级薄且范德华材料，这类材料可与纳米光子架构高效集成。本研究确定天然层状硅酸镁滑石是电信活性铒中心的有前景基质。采用第一性原理密度泛函理论结合多参考波函数计算，研究了铒相关缺陷在滑石中的热力学稳定性、电子结构、晶体场分裂和光学跃迁。发现Er在Mg位点的取代掺入在宽费米能级范围内热力学有利，主要形成电信C波段发射的Er³⁺构型；Er³⁺的特征⁴I₁₃/₂→⁴I₁₅/₂跃迁在滑石环境中得以保留，中心仍在1.55μm附近，而晶体场相互作用产生适合光谱选择性光学寻址的斯塔克流形。热力学稳定性、宽带隙、低背景发射及与范德华异质结构的兼容性相结合，表明掺铒滑石是C波段集成光子学的有前景平台。
英文摘要
Erbium ion is among the most promising solid-state single photon emitters and spin-photon interfaces for quantum networks, emitting directly in the telecom C-band in many host semiconductors. Recently, the search for scalable, low-noise host materials turned toward atomically thin and van der Waals materials that enable efficient integration with nanophotonic architectures. Here, we identify talc, a naturally occurring layered magnesium silicate, as a promising host for telecom-active erbium centers. Using first-principles density functional theory combined with multireference wavefunction calculations, we investigate the thermodynamic stability, electronic structure, crystal-field splitting, and optical transitions of erbium-related defects in talc. We find that substitutional incorporation of Er at Mg sites is energetically favourable over a wide range of Fermi-levels, leading predominantly to telecom C band emitting Er$^{3+}$ configuration. The characteristic ${^4}I_{13/2} \rightarrow {^4}I_{15/2}$ transition of Er$^{3+}$ is preserved in the talc environment and remains centred near 1.55 $μ$m, while crystal-field interactions produce a Stark manifold suitable for spectrally selective optical addressing. The combination of thermodynamic stability, wide band gap, low background emission, and compatibility with van der Waals heterostructures suggests that erbium-doped talc constitutes a promising platform for integrated photonics in the C-band.
