论文标题
追踪诱导超导相变的主要元素和电子轨道
Tracing the main elements and electron orbitals that induce superconducting phase transition
论文作者
论文摘要
超导过渡的实验确定需要观察零耐药性和完美的磁磁性状态。根据状态的超导转变温度（TC）（DOS）之间的密切关系，我们使用第一原则分子动力学模拟，将两个典型的超导材料Hg和ZRTE3作为样品作为样品，并在不同压力下计算其DOS与不同压力。根据对计算结果的分析，通过追踪TC附近状态的部分密度的变化来推断出诱导超导转变的主要贡献者。特别是，进一步分析了增加TC压力的微观机制。
The experimental determination of the superconducting transition requires the observation of the emergence of zero-resistance and perfect diamagnetism state. Based on the close relationship between superconducting transition temperature (Tc) and electron density of states (DOS), we take two typical superconducting materials Hg and ZrTe3 as samples and calculate their DOS versus temperature under different pressures by using the first-principle molecular dynamics simulations. According to the analysis of the calculation results, the main contributors that induce superconducting transitions are deduced by tracing the variation of partial density of states near Tc. In particular, the microscopic mechanism of pressure increasing Tc is further analyzed.
