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arXiv 1909.09751cond-mat.mtrl-scicond-mat.mes-hall
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低能Na$^{+}$从InAs(001)表面散射的中性化

Neutralization of low energy Na$^{+}$ scattered from InAs(001)

Haoshan Zhu, Chao Lian, Bryan M. Wong, Jory A. Yarmoff

AI总结:

本文通过飞行时间谱测量并结合分子动力学与密度泛函理论,提出修正的共振电荷转移模型,揭示了低能Na$^{+}$在InAs(001)表面散射时中性化概率受表面原子与电子结构共同调控。

摘要:

利用飞行时间谱测量了低能Na$^{+}$离子从富In和富As的InAs(001)表面散射后的中性化概率。研究发现,对于两种类型的表面,从As位点散射的入射离子的中性化概率均大于从In位点散射的情况。提出了一种共振电荷转移模型的修正方案,其中将遵循原子结构的冻结轮廓与分子动力学和密度泛函理论相结合。这些方法共同表明,从化合物固体材料散射的碱金属入射离子的中性化由多种因素决定,尤其是表面原子结构和电子结构。该模型适用于表面势不均匀的任何体系,例如化合物材料和吸附物覆盖的表面。

英文摘要:

The neutralization probability of low energy Na$^{+}$ ions scattered from In- and As-rich InAs(001) surfaces is measured by time-of-flight spectroscopy. It is found that the neutralization probability for projectiles scattered from As sites is larger than from In sites for both types of surfaces. A modification of the resonant charge transfer model is proposed in which a freezing contour that follows the atomic structure is combined with molecular dynamics and density functional theory. Together, these approaches show that the neutralization of alkali projectiles scattered from a compound solid material is determined by multiple factors, particularly the surface atomic and electronic structures. This model is applicable to any system in which the surface potential is inhomogeneous, such as compound materials and adsorbate-covered surfaces.

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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