Chong XiaoYu, Jiang YeHua, Zhou Rong, Feng Jing
Faculty of Material Science and Engineering, Kunming University of Science and Technology, Kunming 650093, People's Republic of China.
School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, USA.
Sci Rep. 2016 Feb 23;6:21821. doi: 10.1038/srep21821.
A recently experimental discovered (Cheng et al., Phys. Rev. Lett. 114, 117001 (2015)) of superconductivity on the border of long-range magnetic order in the itinerant-electron helimagnet MnP via the application of high pressure makes MnP the first Mn-based superconductor. In this paper, we carry out first-principles calculations on MnX (X = N, P, As, Sb) and find superconducting critical temperature TC of MnP sharply increases near the critical pressure PC ≈ 8 GPa, which is in good agreement with the experiments. Electron-phonon coupling constant λ and electronic density of states at the Fermi level N (EF) are found to increase with pressure for MnP, which lead to the increase of TC of MnP. Moreover, we also find that the TC of MnAs and MnSb are higher than MnP, implying that the MnAs and MnSb may be the more potential Mn-based superconducting materials.
最近通过施加高压在巡游电子螺旋磁体MnP的长程磁有序边界发现了超导性（Cheng等人，《物理评论快报》114, 117001 (2015)），这使得MnP成为首个基于锰的超导体。在本文中，我们对MnX（X = N、P、As、Sb）进行了第一性原理计算，发现MnP的超导临界温度TC在临界压力PC≈8 GPa附近急剧增加，这与实验结果吻合良好。发现MnP的电子 - 声子耦合常数λ和费米能级处的电子态密度N(EF)随压力增加，这导致MnP的TC升高。此外，我们还发现MnAs和MnSb的TC高于MnP，这意味着MnAs和MnSb可能是更具潜力的基于锰的超导材料。
