arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2007.00406cond-mat.supr-con
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引起超导相变的主要元素和电子轨道的追踪

Tracing the main elements and electron orbitals that induce superconducting phase transition

Sheng-Hai Zhu, Han Qin, Mi Zhong, Dai-He Fan, Xiang-Hui Chang, Yun Wei, Miao Zhang, Tao Zhu, Bin Tang, Fu-Sheng Liu, Qi-Jun Liu

摘要:

超导转变的实验测定需要观察零电阻和完全抗磁性状态的出现。基于超导转变温度(Tc)与电子态密度(DOS)之间的密切关系,采用第一性原理分子动力学模拟,以Hg和ZrTe 3两种典型超导材料为例,计算了它们在不同压力下的DOS随温度的变化.通过对计算结果的分析,通过跟踪Tc附近分电子态密度的变化,得出了引起超导转变的主要因素。特别是对压力升高Tc的微观机理作了进一步的分析。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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