Murakami Taito, Nambu Yusuke, Koretsune Takashi, Xiangyu Gu, Yamamoto Takafumi, Brown Craig M, Kageyama Hiroshi
Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
Institute for Materials Research, Tohoku University, Sendai, Miyagi 980-8577, Japan.
Phys Rev B. 2019;100. doi: 10.1103/PhysRevB.100.195103.
Magnetic properties of MnSbTe were examined through magnetic susceptibility, specific-heat, and neutron-diffraction measurements. As opposed to isostructural MnBiTe with the antiferromagnetic ground state, MnSbTe develops a spontaneous magnetization below 25 K. From our first-principles calculations on the material in a ferromagnetic state, the state could be interpreted as a type-II Weyl semimetal state with broken time-reversal symmetry. Detailed structural refinements using x-ray-diffraction and neutron-diffraction data reveal the presence of site mixing between Mn and Sb sites, leading to the ferrimagnetic ground state. With theoretical calculations, we found that the presence of site mixing plays an important role for the interlayer Mn-Mn ferromagnetic interactions.
通过磁化率、比热和中子衍射测量研究了MnSbTe的磁性。与具有反铁磁基态的同构MnBiTe不同，MnSbTe在25K以下会产生自发磁化。根据我们对处于铁磁态的该材料的第一性原理计算，该状态可解释为具有时间反演对称性破缺的II型外尔半金属态。使用X射线衍射和中子衍射数据进行的详细结构精修揭示了Mn和Sb位点之间存在位点混合，从而导致亚铁磁基态。通过理论计算，我们发现位点混合的存在对层间Mn-Mn铁磁相互作用起着重要作用。
