The study of magnetic topological semimetals by first principles calculations  

作　　者：Jinyu Zou Zhuoran He Gang Xu 

机构地区：[1]Wuhan National High Magnetic Field Center&School of Physics,Huazhong University of Science and Technology,Wuhan 430074,China

出　　处：《npj Computational Materials》2019年第1期283-301,共19页计算材料学（英文）

基　　金：We thank the support by the Ministry of Science and Technology of China(2018YFA0307000);the National Natural Science Foundation of China(11874022);G.X.is supported by the National Thousand-Young-Talents Program.

摘　　要：Magnetic topological semimetals(TSMs)are topological quantum materials with broken time-reversal symmetry(TRS)and isolated nodal points or lines near the Fermi level.Their topological properties would typically reveal from the bulk-edge correspondence principle as nontrivial surface states such as Fermi arcs or drumhead states,etc.Depending on the degeneracies and distribution of the nodes in the crystal momentum space,TSMs are usually classified into Weyl semimetals(WSMs),Dirac semimetals(DSMs),nodal-line semimetals(NLSMs),triple-point semimetals(TPSMs),etc.In this review article,we present the recent advances of magnetic TSMs from a computational perspective.We first review the early predicted magnetic WSMs such as pyrochlore iridates and HgCr_(2)Se_(4),as well as the recently proposed Heusler,Kagome layers,and honeycomb lattice WSMs.Then we discuss the recent developments of magnetic DSMs,especially CuMnAs in Type-III and EuCd_(2)As_(2) in Type-IV magnetic space groups(MSGs).Then we introduce some magnetic NLSMs that are robust against spin–orbit coupling(SOC),namely Fe_(3)GeTe_(2) and LaCl(LaBr).Finally,we discuss the prospects of magnetic TSMs and the interesting directions for future research.

关 键 词：TOPOLOGICAL METALS FERMI 

分 类 号：O46[理学—电子物理学]