论文标题
黑磷的超导性和动力筛查的作用
Superconductivity in black phosphorus and the role of dynamical screening
论文作者
论文摘要
简单的立方磷表现出超导性，在压力下，最大$ T_C $最高为12 K。 $ t_c $的压力依赖性不能用简单的电子 - 音波机制始终如一地解释，该机制刺激了对电子相关和等离子体贡献的作用的研究。在这里，我们使用对内核的不同电子电子和电子 - 光贡献来解决超导体的密度功能理论的间隙方程。我们发现，单独的声子贡献会产生$ T_C $的高估，而静态电子贡献的添加导致低估。考虑到筛选交互的全频率依赖性，单次$ GW $近似预测$ t_c $值与适合立方相的压力范围的实验非常吻合。我们还探讨了在电子和语音核的计算中使用准粒子带的使用，并表明这种修饰可显着改善高压区域的$ T_C $。
Simple cubic phosphorus exhibits superconductivity with a maximum $T_c$ of up to 12 K under pressure. The pressure dependence of $T_c$ cannot be consistently explained with a simple electron-phonon mechanism, which has stimulated investigations into the role of electronic correlations and plasmonic contributions. Here, we solve the gap equation of density functional theory for superconductors using different electron-electron and electron-phonon contributions to the kernel. We find that the phonon contribution alone yields an overestimation of $T_c$, while the addition of the static electronic contribution results in an underestimation. Taking into account the full frequency dependence of the screened interaction, the one-shot $GW$ approximation predicts $T_c$ values in good agreement with the experiments in the pressure range appropriate for the cubic phase. We also explore the use of quasi-particle bands in the calculation of the electronic and phononic kernels, and show that this modification significantly improves $T_c$ in the high-pressure region.
