Carbon atom has different bonding modes, which provides the possibility for the existence of multilayer carbon allotropes. Among these bonding modes, the sp³ hybrid bonding mode often causes atoms to be noncoplanar. This provides the possibility for the emergence of two-dimensional (2D) multilayer materials. In this work, a new 2D multilayer carbon allotrope named trilaminar buckled T-graphene is proposed. Carbon atoms have sp² and sp³ hybridization in this structure. It is nonmagnetic and has an indirect band gap of 1.70 eV. It has mechanical stability and dynamic stability, and formation energy calculations also prove that it is stable. Thermal stability calculations results indicate that it does not change the bonding pattern at 1000 K. It is an elastically soft material with a low value of elastic constants. This structure shows amazing electrical properties, which has a high hole mobility of close to 3071 cm² V⁻¹ s⁻¹. Optical property calculations results show that it has an optical gap of 1.70 eV and an ultrahigh absorption in visible and near ultraviolet light. Considering all its properties, this structure has great application potential in high-speed electronic and optoelectronic devices, optical filters, modified substrates, and adsorption sensors.

中文翻译：

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一种具有高载流子迁移率和光吸收的新型碳同素异形体


碳原子具有不同的键合模式，这为多层碳同素异形体的存在提供了可能性。在这些键合模式中，sp³ 杂化键合模式通常会导致原子非共面。这为二维 （2D） 多层材料的出现提供了可能性。在这项工作中，提出了一种名为 trilaminar buckled T-graphene 的新型 2D 多层碳同素异形体。碳原子在这种结构中具有 sp² 和 sp³ 杂化。它是非磁性的，间接带隙为 1.70 eV。它具有机械稳定性和动态稳定性，地层能量计算也证明它是稳定的。热稳定性计算结果表明，它在 1000 K 时不会改变接合模式。它是一种弹性柔软的材料，弹性常数值低。这种结构显示出惊人的电学特性，具有接近 3071 cm^{2 V-1 s-1} 的高空穴迁移率。光学性质计算结果表明，它具有 1.70 eV 的光隙，在可见光和近紫外光下具有超高的吸收率。考虑到其所有特性，这种结构在高速电子和光电器件、滤光片、改性基板和吸附传感器方面具有巨大的应用潜力。