Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi | |
Article | |
关键词: BAND-STRUCTURE; SUPEREXCHANGE; PHASE; | |
DOI : 10.1103/PhysRevB.93.195101 | |
来源: SCIE |
【 摘 要 】
The metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory, and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength of the (D) over right arrow parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. Our calculations suggest strong coupling between Mn-d and Si-p states, which is consistent with a mixed valence ground state vertical bar d(7-x)p(2+x)> configuration. Consistent with previous calculations, we find that DFT+U leads to the experimental magnetic moment of 0.4 mu(B), which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters J and (D) over right arrow for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by e(g) electrons near the Fermi level. Using parameters from our calculations, we get reasonable agreement with the observations.
【 授权许可】
Free