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Electron Paramagnetic Resonance Of Sulfur At A Split-vacancy Site In Diamond

机译:金刚石分裂空位处硫的电子顺磁共振

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摘要

In natural diamonds a sulfur-related paramagnetic center labeled W31 has been previously tentatively assigned to an interstitial sulfur species in a positive charge state. However, we show by combining an assessment of available experimental data and density-functional simulations that the hyperfine tensors can be attributed to a defect made up from sulfur at the center of a divacancy, the so-called split vacancy, in the negative charge state. These acceptors are highly likely to be formed in S-implanted material and are a likely cause for high resistivity in material implanted with sulfur in the attempt to produce n-type conduction.
机译:在天然钻石中,预先将标记为W31的与硫有关的顺磁中心暂时分配给处于正电荷状态的填隙硫。但是,我们通过结合可用实验数据的评估和密度泛函模拟表明,超细张量可归因于由处于负电荷状态的空位中心处的硫(所谓的分裂空位)引起的缺陷。 。这些受体很可能在注入S的材料中形成,并且可能是在注入硫的材料中试图产生n型导电的材料中高电阻率的原因。

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