论文标题
分子液体中金属过渡的发作
Onset of metallic transition in molecular liquid hydrogen
论文作者
论文摘要
氢的液态液相变位位于氢相图的中心，这是通往新兴特性的有前途的途径，例如Wigner-Huntington金属化，超导性和超流量。在这里，我们报告了一项有关使用最新的扩散量子蒙特卡洛和密度功能理论计算的研究研究的研究。我们的结果表明，与分子向原子氢的结构相变相比，金属化过程发生在较低的压力和温度下。结果是金属化的分子氢在各种压力和温度范围内保持稳定。我们的研究打破了传统假设，即金属化与氢分子的解离一致，并且分子金属氢液相很可能成为研究氢相变的前沿。
Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising route towards emergent properties such as the Wigner-Huntington metallization, superconductivity, and superfluidity. Here we report a study on the liquid-liquid phase transition of hydrogen using the state-of-the-art diffusion quantum Monte Carlo and density functional theory calculations. Our results suggest that the metallization process happens at lower pressures and temperatures compared to the structural phase transition of molecular to atomic hydrogen. The consequence is that metallized molecular hydrogen is stable at a wide range of pressures and temperatures. Our study breaks the conventional assumption that metallization coinciding with dissociation of hydrogen molecule, and the molecular metallic hydrogen liquid phase is likely to become the frontier of studying hydrogen phase transitions.
