Abstract

One of the most promising platforms to implement quantum technologies are coupled electron-nuclear spins in diamond in which the electrons of paramagnetic color centers play a role of “fast” qubits, while nuclear spins of nearby ¹³C atoms can store quantum information for a very long time due to their exceptionally high isolation from the environment. Essential prerequisite for a high-fidelity spin manipulation in these systems with tailored control pulse sequences is a complete knowledge of hyperfine interactions. Development of this understanding for the negatively charged “silicon-vacancy” (SiV^–) and neutral (SiV⁰) color center, is a primary goal of this article, where we are presenting shortly our recent results of computer simulation of spatial and hyperfine characteristics of these SiV centers in H-terminated cluster C₁₂₈[SiV]H₉₈ along with their comparison with available experimental data.

中文翻译：

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钻石中SiV –和SiV 0色心的空间和超精细特征：DFT模拟

摘要

实施量子技术最有前途的平台之一是钻石中的耦合电子核自旋，其中顺磁性色心的电子起“快速”量子位的作用，而附近¹³ C原子的核自旋可存储非常大的量子信息。由于它们与环境的高度隔离，因此需要很长时间。在具有定制控制脉冲序列的这些系统中，高保真自旋操作的基本前提是对超精细相互作用的全面了解。对带负电荷的“硅空位”（SiV ^–）和中性（SiV ⁰色心是本文的主要目标，我们将在此简要介绍计算机模拟H端簇C ₁₂₈ [SiV] H ₉₈中这些SiV中心的空间和超精细特征的最新结果，以及它们与现有技术的比较。实验数据。