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arXiv 0903.4078cond-mat.mtrl-sci
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金刚石中$N-V^-$心的自旋守恒激发理论

Theory of Spin-Conserving Excitation of the $N-V^-$ Center in Diamond

Adam Gali, Erik Janzén, Péter Deák, Georg Kresse, Efthimios Kaxiras

摘要:

金刚石中带负电荷的氮空位缺陷($N-V^-$中心)是一种重要的原子尺度结构,可用作量子计算中的量子比特,也可用作生物医学应用中的标记。它的有用性依赖于在明确定义的间隙状态之间光学激发电子的能力,这需要对相关状态和激发过程有清晰和详细的理解。在这里,我们表明,通过使用混合密度泛函理论计算在一个大的超晶胞,我们可以重现零声子线和斯托克斯和反斯托克斯位移,产生一个完整的图片的自旋守恒激发这个缺陷。

英文摘要:

The negatively charged nitrogen-vacancy defect ($N-V^-$ center) in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the ability to optically excite electrons between well-defined gap states, which requires clear and detailed understanding of the relevant states and excitation processes. Here we show that by using hybrid density-functional-theory calculations in a large supercell we can reproduce the zero-phonon line and the Stokes and anti-Stokes shifts, yielding a complete picture of the spin-conserving excitation of this defect.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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