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arXiv 2408.08596cond-mat.mes-hall
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一维范德瓦尔斯晶体中的强杂化声子

Strongly hybridized phonons in one-dimensional van der Waals crystals

Shaoqi Sun, Qingyun Lin, Yihuan Li, Daichi Kozawa, Huizhen Wu, Shigeo Maruyama, Pilkyung Moon, Toshikaze Kariyado, Ryo Kitaura, Sihan Zhao

AI总结:

本文通过双壁碳纳米管首次实验观测到一维范德瓦尔斯晶体中的强杂化声子,结合DFT计算揭示了内外管横向声学模式耦合机制,为声子工程开辟新途径。

摘要:

一维(1D)系统中显著的电子-电子和电子-声子相互作用现象普遍存在,这些现象已由Luttinger液体、Peierls不稳定性及伴随的电荷密度波等框架很好地描述。然而,一维系统中强杂化声子的实验观测尚未得到证实。本文中,我们通过结合光谱学和显微学工具以及从头算密度泛函理论(DFT)计算,利用双壁碳纳米管(DWNTs)——代表性的一维范德瓦尔斯晶体,首次报道了一维凝聚态物质中强杂化声子的观测。我们在一个共度性和三个非共度性DWNT晶体中观测到了前所未有的声子模式,其中三个同时表现出强烈重构的电子能带结构。我们对实验观测到的共度性DWNT (7,7) @ (12,12)的DFT计算揭示,这种新的声子模式源于组成的内外纳米管中两个横向声学模式(ZA模式)之间的(近)简并耦合,这两个纳米管沿圆周分别具有近似三角和五角旋转对称性。这种耦合强烈杂化了不同壳层中的两个声子模式,并导致形成一种独特的晶格运动,其特征是振动振幅均匀分布在内管和外管上,这不同于一维系统中任何已知的声子模式。所有表现出显著新声子模式的四个DWNT均具有较小的手性角扭曲、紧密匹配的3/5直径比,以及新声子模式频率随直径增大而降低,所有这些都支持所揭示的耦合机制。我们在DWNTs中发现强杂化声子,为一维凝聚态物质中的声子工程和探索新型声子相关现象开辟了新机遇。

英文摘要:

The phenomena of pronounced electron-electron and electron-phonon interactions in one-dimensional (1D) systems are ubiquitous, which are well described by frameworks of Luttinger liquid, Peierls instability and concomitant charge density wave. However, the experimental observation of strongly hybridized phonons in 1D was not demonstrated. Herein we report the first observation of strongly hybridized phonons in 1D condensed matters by using double-walled carbon nanotubes (DWNTs), representative 1D van der Waals crystals, with combining the spectroscopic and microscopic tools as well as the ab initio density functional theory (DFT) calculations. We observe uncharted phonon modes in one commensurate and three incommensurate DWNT crystals, three of which concurrently exhibit strongly-reconstructed electronic band structures. Our DFT calculations for the experimentally observed commensurate DWNT (7,7) @ (12,12) reveal that this new phonon mode originates from a (nearly) degenerate coupling between two transverse acoustic modes (ZA modes) of constituent inner and outer nanotubes having approximately trigonal and pentagonal rotational symmetry along the nanotube circumferences. Such coupling strongly hybridizes the two phonon modes in different shells and leads to the formation of a unique lattice motion featuring evenly distributed vibrational amplitudes over inner and outer nanotubes, distinct from any known phonon modes in 1D systems. All four DWNTs that exhibit the pronounced new phonon modes show small chiral angle twists, closely matched diameter ratios of 3/5 and decreased frequencies of new phonon modes with increased diameters, all supporting the uncovered coupling mechanism. Our discovery of strongly hybridized phonons in DWNTs open new opportunities for engineering phonons and exploring novel phonon-related phenomena in 1D condensed matters.

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