赝势
凝聚态物理
超导电性
声子
物理
布里渊区
费米面
联轴节(管道)
基质(化学分析)
电子
锂(药物)
材料科学
量子力学
冶金
医学
内分泌学
复合材料
作者
Timur Bazhirov,Jesse Noffsinger,Marvin L. Cohen
标识
DOI:10.1103/physrevb.82.184509
摘要
Using a first-principles pseudopotential approach we study the origin of superconductivity in lithium under pressure. A recently developed Wannier interpolation based technique that allows for ultradense sampling of electron-phonon parameters throughout the Brillouin zone was employed. The electron-phonon coupling strength as a function of pressure was calculated, precisely resolving many of the fine features of its distribution. The contributions to coupling arising from the Fermi surface topology, phonon dispersions, and electron-phonon matrix elements were separately analyzed. It is found that of the constituent components, the electron-phonon matrix elements are the most sensitive to pressure changes, and a particular phonon is responsible for high values of coupling. Additionally, the distribution of matrix elements over the Fermi surface is seen to be non-uniform and possesses a two-peak structure. Analysis of the Eliashberg spectral function ${\ensuremath{\alpha}}^{2}F(\ensuremath{\omega})$ shows a considerable increase in spectral weight in the low-frequency region with the application of pressure. We estimate the superconducting transition temperature and find that the obtained values are in good accord with experiment.
科研通智能强力驱动
Strongly Powered by AbleSci AI