High pressure Raman spectra of graphdiyne (GDY) have been studied up to 34.63 GPa. We found that sp-hybridized carbons in GDY are highly active and start to undergo a bonding change at around 5.2 GPa. Such a bonding change affects the C-C stretching vibration of sp2 hexagon rings in GDY, leading to an anomaly in the corresponding G-band pressure coefficient. A three-dimensional sp2 structure is proposed to form via pressure-induced interlayer cross-linking of sp carbons in GDY and is stable up to at least 34.63 GPa. Our study presents an important example in the study of graphyne family under pressure.High pressure Raman spectra of graphdiyne (GDY) have been studied up to 34.63 GPa. We found that sp-hybridized carbons in GDY are highly active and start to undergo a bonding change at around 5.2 GPa. Such a bonding change affects the C-C stretching vibration of sp2 hexagon rings in GDY, leading to an anomaly in the corresponding G-band pressure coefficient. A three-dimensional sp2 structure is proposed to form via pressure-induced interlayer cross-linking of sp carbons in GDY and is stable up to at least 34.63 GPa. Our study presents an important example in the study of graphyne family under pressure.

中文翻译：

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Graphdiyne 在压力下：拉曼研究

已经研究了高达 34.63 GPa 的石墨二炔 (GDY) 的高压拉曼光谱。我们发现 GDY 中的 sp 杂化碳具有高活性，并在 5.2 GPa 左右开始发生键合变化。这种键合变化会影响 GDY 中 sp2 六边形环的 CC 伸缩振动，导致相应的 G 带压力系数异常。提出了一种三维 sp2 结构，通过 GDY 中 sp 碳的压力诱导层间交联形成，并且在至少 34.63 GPa 下稳定。我们的研究为压力下石墨炔族的研究提供了一个重要的例子。石墨炔 (GDY) 的高压拉曼光谱已被研究到 34.63 GPa。我们发现 GDY 中的 sp 杂化碳具有高活性，并在 5.2 GPa 左右开始发生键合变化。这种键合变化会影响 GDY 中 sp2 六边形环的 CC 伸缩振动，导致相应的 G 带压力系数异常。提出了一种三维 sp2 结构，通过 GDY 中 sp 碳的压力诱导层间交联形成，并且在至少 34.63 GPa 下稳定。我们的研究为压力下石墨炔家族的研究提供了一个重要的例子。