Lattice structure and electron distribution in FeSe and MnSe system
Chun-Hao Huang1,2*, Chung-Chieh Chang2, Ming-Jye Wang3, Maw-Kuen Wu2,4
1Departments of Physics, National Taiwan University, Taipei, Taiwan
2Institute of Physics, Academia Sinica, Taipei, Taiwan
3Institute of Astronomy and Astrophysics, Academia Sinica, Taipei, Taiwan
4Departments of Physics, National Dong Hwa University, Hualien, Taiwan
* presenting author:Chun-Hao Huang,
Superconductivity was observed on the FeSe system with transition temperature near 8 K. In order to find new binary superconductor, we use the material studio software to simulate the partial density of state and electron distribution in FeSe system and MnSe system. In both two systems, the d-orbital electron near the Fermi surface mainly contributes to the physical characteristics. However, from the comparison of both system structures, the FeSe system obviously demonstrates the layer structure, but MnSe system doesn’t. Besides, electron distribution in FeSe system is anti-symmetry in ab plant, but in MnSe system is symmetry along c-axis, which might cause superconductivity appear or not. Therefore, even though the atom size of Mn is similar with Fe and mainly d-electron contribution near Fermi-surface are in both systems, the superconductivity difficultly appears in MnSe system due to the symmetry electron distribution.

Keywords: FeSe, MnSe, density of state, electron distribution, structure symmetry