Fluorine-terminated diamond (110) surfaces for nitrogen-vacancy quantum sensors
Fluorine-terminated diamond (110) surfaces for nitrogen-vacancy quantum sensors
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DOI：
10.1016/j.carbon.2022.02.017
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发表时间：
2022-02
期刊：
影响因子：
10.9
通讯作者：
Wei Shen;Gai Wu;Lijie Li;Hui Li;Sheng Liu;S. Shen;Diwei Zou
中科院分区：
文献类型：
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作者：
Wei Shen;Gai Wu;Lijie Li;Hui Li;Sheng Liu;S. Shen;Diwei Zou
金刚石（110）表面是金刚石的低折射率表面之一，但其对氮空位（NV）基量子传感器的影响尚不清楚。本文提出了用于NV中心的氟、氢、氮和氧封端的金刚石（110）表面，并基于第一性原理计算研究了它们的电子性质。氧封端的金刚石（110）表面具有带隙间状态和表面电子自旋，氮封端的（110）表面具有带隙间状态，并且氢封端的（110）表面具有负电子亲和势。因此，这三个表面可能不适合浅NV中心。氟封端的金刚石（110）表面具有正的电子亲合势，没有表面相关的带隙态，也没有表面电子自旋，因此它是基于NV的量子传感器的有希望的候选者。
Diamond (110) surface is one of the low-index diamond faces but its effects on nitrogen-vacancy (NV) based quantum sensor remain unclear. The fluorine, hydrogen, nitrogen, and oxygen-terminated diamond (110) surfaces used for the NV centers are proposed here, and their electronic properties are investigated based on first-principles calculations. The oxygen-terminated diamond (110) surface has inter-bandgap states and surface electron spins, the nitrogen-terminated (110) surface has inter-band gap states, and the hydrogen-terminated (110) surface has negative electron affinity. Thus, these three surfaces may not be suitable for shallow NV centers. The fluorine-terminated diamond (110) surface has positive electron affinity, no surface related inter bandgap states, and no surface electron spins, so it is a promising candidate for NV-based quantum sensors.