标题： 金刚石中第四主族空位中心的充电循环：从密度泛函理论到速率方程 显示英文标题

标题： The charge cycle of group IV vacancy centers in diamond: From DFT to rate equations

摘要： 由于硅空位中心在光学和自旋性质上的优越性，金刚石中的硅空位中心是量子技术有前景的体系。 这引发了人们对硅空位中心以及其它第IV族空位中心的极大兴趣。 在这项工作中，我们模拟了第IV族空位中心从$-2$到$0$电荷态的电荷循环。 首先，我们计算了所有相关单步和两步电离过程的起始能量。 基于这些结果，我们随后利用费米黄金规则推导出速率方程。 显示英文摘要

摘要： The silicon vacancy center in diamond is a promising system for quantum technologies due to its exceptional optical and spin properties. This has led to great interest in the silicon-vacancy center as well as in the other group IV vacancy centers. In this work, we model the charge cycle of the group IV vacancy centers from the $-2$ to $0$ charge state. As a first step, we compute the onset energies for all relevant one- and two-step ionization processes. Based on these results, we then derive the rate equations using Fermi's golden rule.