论文标题

内尾硅纳米线的晶格动力学

Lattice dynamics of endotaxial silicide nanowires

论文作者

Kalt, J., Sternik, M., Krause, B., Sergueev, I., Mikolasek, M., Merkel, D., Bessas, D., Sikora, O., Vitova, T., Göttlicher, 8 J., Steininger, R., Jochym, P. T., Ptok, A., Leupold, O., Wille, H. -C., Chumakov, A. I., Piekarz, P., Parlinski, K., Baumbach, T., Stankov, S.

论文摘要

自组织的硅纳米线被认为是未来纳米电子学的主要构件,并且已经进行了深入研究。在纳米结构中,晶格振动波(声子)急剧偏离散装晶体的晶状体,这会导致热力学,弹性,电子和磁性特性的异常。因此,对这些材料的物理特性的透彻理解需要对晶格动力学的全面研究,该动力学是纳米线大小的函数。我们对内尾fesi $ _2 $纳米线进行了系统的晶格动力学研究,形成了可稳定的,表面稳定的$α$ - 相,这些平面嵌入了Si(110)表面。纳米线的平均宽度范围从24到3 nm不等,其长度范围从几美元$ $ m到约100 nm。通过核非弹性散射获得的状态的非派对声子密度表现出光谱特征的扩大,随着纳米线宽度的降低。沿纳米线获得的实验数据揭示了一个明显的振动各向异性,该振动性源自SI(110)表面上的四方$α$ -FESI $ _2 $单位单元。第一原理计算的结果与实验数据完全一致,并可以全面了解内尾硅纳米线的晶格动力学。

Self-organized silicide nanowires are considered as main building blocks of future nanoelectronics and have been intensively investigated. In nanostructures, the lattice vibrational waves (phonons) deviate drastically from those in bulk crystals, which gives rise to anomalies in thermodynamic, elastic, electronic, and magnetic properties. Hence, a thorough understanding of the physical properties of these materials requires a comprehensive investigation of the lattice dynamics as a function of the nanowire size. We performed a systematic lattice dynamics study of endotaxial FeSi$_2$ nanowires, forming the metastable, surface-stabilized $α$-phase, which are in-plane embedded into the Si(110) surface. The average widths of the nanowires ranged from 24 to 3 nm, their lengths ranged from several $μ$m to about 100 nm. The Fe-partial phonon density of states, obtained by nuclear inelastic scattering, exhibits a broadening of the spectral features with decreasing nanowire width. The experimental data obtained along and across the nanowires unveiled a pronounced vibrational anisotropy that originates from the specific orientation of the tetragonal $α$-FeSi$_2$ unit cell on the Si(110) surface. The results from first-principles calculations are fully consistent with the experimental data and allow for a comprehensive understanding of the lattice dynamics of endotaxial silicide nanowires.

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