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arXiv 2602.10690quant-phcond-mat.mtrl-sci
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金刚石中中性硅空位中心在极端各向同性应变场下的磁光性质

Magneto-optical properties of the neutral silicon-vacancy center in diamond under extreme isotropic strain fields

Wigner Research Centre for Physics(维格纳物理研究中心);Eötvös Loránd University(罗兰大学);Budapest University of Technology and Economics, Institute of Physics, Department of Atomics Physics(布达佩斯技术与经济大学物理学院原子物理系)

Meysam Mohseni, Gergő Thiering, Adam Gali

AI总结:

研究了金刚石中性硅空位中心在极端各向同性应变下的磁光性质,发现其自旋轨道分裂和振动能隙变化,表明其作为对称性保护的应变可调量子发射体的潜力。

摘要:

金刚石中的中性硅-空位(SiV⁰)中心结合了反演对称性和光学发射,使其成为一种稳健的量子发射体,能够抵御杂散电场的影响。利用第一性原理的密度泛函理论,我们量化了其对各向同性应变的响应,涵盖了强压缩和拉伸区域(有效等效压强约为-80到180 GPa)。双重简并的eg和eu能级共存,产生了一种由二次积简正模型捕捉的结构不稳定性。在各向同性压缩下,零声子线几乎线性地蓝移,而Eg声子变硬,抑制了振动能级的不稳定性并减少了简正淬灭。因此,哈姆-缩减的激发态自旋轨道分裂显著增加,暗-亮振动能隙变宽。相反,各向同性拉伸应变增强了振动能级效应,并在临界应变后诱导了对称性破坏,其中在临界点处出现了由隧道介导的动态平均。在整个对称性保持区域内,对称性保持良好,因此各向同性应变本身不会激活暗跃迁。电荷跃迁能级表明,在压缩区域深处发射的光稳定性,而在最高光稳定性变形(约100 GPa)附近,由于过渡偶极矩的减少,辐射寿命增加,尽管光学能量在增加。这些趋势产生了紧凑的校准关系,将光学和自旋可观察性与各向同性应变联系起来,并确立SiV⁰作为对称性保护、应变可调的量子发射体,能够在多兆巴等价范围内运行。

英文摘要:

The neutral silicon--vacancy (SiV$^{0}$) center in diamond combines inversion symmetry with optical emission, making it a robust quantum emitter resilient to stray electric fields. Using first-principles density-functional theory, we quantify its response to isotropic strain spanning strong compression and tensile regimes (effective hydrostatic pressures of approximately $-80$ to $180$~GPa). The coexistence of doubly degenerate $e_g$ and $e_u$ levels produces a structural instability captured by a quadratic product Jahn--Teller model. Under isotropic compression, the zero-phonon line blue-shifts nearly linearly while the $E_g$ phonon stiffens, suppressing vibronic instabilities and reducing Jahn--Teller quenching. Consequently, the Ham-reduced excited-state spin--orbit splitting increases substantially and the dark--bright vibronic gap widens. In contrast, isotropic tensile strain enhances vibronic effects and induces symmetry breaking beyond a critical strain, with tunneling-mediated dynamical averaging at the onset. Throughout the symmetry-preserving regime, parity remains well defined, so isotropic strain alone does not activate the dark transition. Charge-transition levels indicate photostability of the emission deep into the compressive regime, and near the highest photostable deformation ($\sim 100$~GPa), the radiative lifetime increases due to a reduced transition dipole moment despite the increasing optical energy. These trends yield compact calibration relations linking optical and spin observables to isotropic strain and establish SiV$^{0}$ as a symmetry-protected, strain-tunable quantum emitter operating into the multi-megabar-equivalent regime.

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