The unavoidable presence of vibrations in solid-state devices can drastically modify the expected electron spin resonance (ESR) absorption spectrum in magnetically active systems. In this work, we model the effect of phonons and temperature on the ESR signal in molecular systems with strong E ⊗ e Jahn–Teller (JT) effect and an electronic spin-1/2. Our microscopic model considers the linear JT interaction with a continuum of phonon modes, the spin–orbit coupling, the Zeeman effect, and the response of the system under a weak oscillating magnetic field. We derive a Lindblad master equation for the orbital and spin degrees of freedom, where one- and two-phonon processes are considered for the phonon-induced relaxation, and the thermal dependence of Ham reduction factors is calculated. We find that the suppression of ESR signals is due to phonon broadening but not based on the common assumption of orbital quenching. Our results can be applied to explain the experimentally observed absence of the ESR signal in color centers in diamond, such as the neutral nitrogen-vacancy and negatively charged silicon-vacancy color centers in diamond.

固态器件中不可避免的振动会极大地改变磁活性系统中预期的电子自旋共振 (ESR) 吸收光谱。在这项工作中，我们模拟了声子和温度对具有强E ⊗ e的分子系统中 ESR 信号的影响Jahn-Teller (JT) 效应和电子自旋 1/2。我们的微观模型考虑了与声子模式连续体的线性 JT 相互作用、自旋轨道耦合、塞曼效应以及系统在弱振荡磁场下的响应。我们推导出轨道和自旋自由度的 Lindblad 主方程，其中考虑了声子引起的弛豫的单声子过程和双声子过程，并计算了 Ham 减少因子的热依赖性。我们发现 ESR 信号的抑制是由于声子展宽而不是基于轨道猝灭的普遍假设。我们的结果可用于解释实验观察到的钻石色心中没有 ESR 信号，例如钻石中的中性氮空位和带负电的硅空位色心。