标题： 一种模拟含有NV$^-$色心的金刚石晶体的能级反交叉光谱的方法 显示英文标题

标题： A method for simulating level anti-crossing spectra of diamond crystals containing NV$^-$ color centers

摘要： 我们提出了一种高效的方法，用于计算晶体中相互作用的顺磁缺陷中心的能级反交叉光谱（LAC 光谱）。我们所说的 LAC 光谱是指顺磁色心的光致发光强度随磁场的变化：这种磁场依赖性通常表现出尖锐的特征，如峰或谷，这些特征来源于自旋系统中的 LAC。我们的方法考虑了电子塞曼相互作用与外部磁场、顺磁中心的偶极-偶极相互作用、顺磁缺陷与磁性核的超精细耦合以及零场分裂。通过使用此方法，我们不仅可以获得 LAC 光谱中线条的位置，还可以再现它们的形状以及不同线条的相对振幅。作为一个显著的例子，我们展示了含有带负电荷的 NV 中心的金刚石晶体中 LAC 光谱的计算。 显示英文摘要

摘要： We propose an efficient method for calculating level anti-crossing spectra (LAC spectra) of interacting paramagnetic defect centers in crystals. By LAC spectra we mean the magnetic field dependence of the photoluminescence intensity of paramagnetic color centers: such field dependences often exhibit sharp features, such as peaks or dips, originating from LACs in the spin system. Our approach takes into account the electronic Zeeman interaction with the external magnetic field, dipole-dipole interaction of paramagnetic centers, hyperfine coupling of paramagnetic defects to magnetic nuclei and zero-field splitting. By using this method, we can not only obtain the positions of lines in LAC spectra, but also reproduce their shapes as well as the relative amplitudes of different lines. As a striking example, we present a calculation of LAC spectra in diamond crystals containing negatively charged NV centers.