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arXiv 2107.03296cond-mat.mtrl-sci
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控制电离对黑磷单空位电子自钝化的影响

Electronic Self-passivation of Single Vacancy in Black Phosphorus via a Controlled Ionization

Hanyan Fang, Aurelio Gallardo, Dikshant Dulal, Zhizhan Qiu, Jie Su, Mykola Telychko, Harshitra Mahalingam, Pin Lyu, Yixuan Han, Yi Zheng, Yongqing Cai, Aleksand… 展开作者

Hanyan Fang, Aurelio Gallardo, Dikshant Dulal, Zhizhan Qiu, Jie Su, Mykola Telychko, Harshitra Mahalingam, Pin Lyu, Yixuan Han, Yi Zheng, Yongqing Cai, Aleksandr Rodin, Pavel Jelínek, Jiong Lu

摘要:

本文报道了一元黑磷的单空位电子自钝化机制。通过低温扫描隧道显微镜和键分辨非接触原子力显微镜,我们证明了SV局部重构和电离成带负电荷的$\mathrm{SV}^-$导致悬挂键的钝化,从而导致带隙态的淬灭,这可以通过温和的热退火或STM针尖操作来实现。SV表现出强烈的对称Friedel振荡(FO)模式,而$\mathrm{SV}^-$则表现出局部扰动幅度减小一个数量级的非对称FO模式,衰减速率更快。通过形成$\mathrm{SV}^-$增强的钝化可以归因于其弱的类偶极微扰,与密度泛函理论和数值计算一致。因此,自钝化的$\mathrm{SV}^-$是电子良性的,并且充当弱得多的散射中心,这可能是进一步增强BP及其类似物的电荷迁移率的关键。

英文摘要:

We report that mono-elemental black phosphorus presents a new electronic self-passivation scheme of single vacancy (SV). By means of low-temperature scanning tunneling microscopy and bond-resolved non-contact atomic force microscopy, we demonstrate that the local reconstruction and ionization of SV into negatively charged $\mathrm{SV}^-$ leads to the passivation of dangling bonds and thus the quenching of in-gap states, which can be achieved by mild thermal annealing or STM tip manipulation. SV exhibits a strong and symmetric Friedel oscillation (FO) pattern, while $\mathrm{SV}^-$ shows an asymmetric FO pattern with local perturbation amplitude reduced by one order of magnitude and a faster decay rate. The enhanced passivation by forming $\mathrm{SV}^-$ can be attributed to its weak dipole-like perturbation, consistent with density-functional theory and numerical calculations. Therefore, self-passivated $\mathrm{SV}^-$ is electronically benign and acts as a much weaker scattering center, which may hold the key to further enhance the charge mobility of BP and its analogs.

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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