论文标题
显微镜钻石砧细胞：稳定超强，超导在环境压力下
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
论文作者
论文摘要
通过第一原理计算预测了金属共价键合碳同素同质量。它由$ sp^3 $碳框架组成，该框架通过限制平行顺式 - 聚乙炔链之间的距离来充当钻石砧。这些$ sp^2 $碳原子之间的距离使相金属呈现，并产生两个跨越费米水平的近纽扣几乎平行带。计算表明，此阶段是常规的超导体，$ sp^2 $碳的动作是电子声子耦合的关键因素。 $ sp^3 $碳原子具有出色的机械性能，预测的Vickers硬度为48 〜GPA。在环境条件下具有亚稳态的这种阶段可以通过将石墨的冷压缩到40〜GPA来制成。可以通过改变$ sp^2 $对$ sp^3 $碳含量和掺杂来衍生出具有可调超导和机械性能的多功能材料家族。
A metallic covalently bonded carbon allotrope is predicted via first principles calculations. It is composed of an $sp^3$ carbon framework that acts as a diamond anvil cell by constraining the distance between parallel cis-polyacetylene chains. The distance between these $sp^2$ carbon atoms renders the phase metallic, and yields two well-nested nearly parallel bands that span the Fermi level. Calculations show that this phase is a conventional superconductor, with the motions of the $sp^2$ carbons being key contributors to the electron phonon coupling. The $sp^3$ carbon atoms impart superior mechanical properties, with a predicted Vickers hardness of 48~GPa. This phase, metastable at ambient conditions, could be made via cold compression of graphite to 40~GPa. A family of multifunctional materials with tunable superconducting and mechanical properties could be derived from this phase by varying the $sp^2$ versus $sp^3$ carbon content and by doping.
