Multi-loop node line states in ternary MgSrSi-type crystals
作者机构：Department of PhysicsShaoxing University312000 ShaoxingChina National Laboratory of Solid State Microstructures and Department of Materials Science and EngineeringNanjing University210093 NanjingChina School of Physics and TechnologyWuhan University430072 WuhanChina Beijing National Laboratory for Condensed Matter Physicsand Institute of PhysicsChinese Academy of Sciences100190 BeijingChina Songshan Lake Materials LaboratoryGuangdong 523808China
出 版 物：《npj Computational Materials》 (计算材料学（英文）)
年 卷 期：2019年第5卷第1期
页 面：1056-1062页
核心收录：
学科分类：080901[工学-物理电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学]
基 金：The work is supported by National Natural Science Foundation of China(NSFC)(Grants No.11574215,No.11575116,No.11274359,and No.11422428) H.M.W is also supported by the National 973 program of China(Grants No.2018YFA0305700 and No.2013CB921700) the“Strategic Priority Research Program(B)”of the Chinese Academy of Sciences(Grant No.XDB07020100)
主 题：structure materials topological
摘 要：Node line band-touchings protected by mirror symmetry(named as m-NLs),the product of inversion and time reversal symmetry S=PT(named as s-NLs),or nonsymmorphic symmetry are nontrivial topological objects of topological semimetals in the Brillouin *** this work,we screened a family of MgSrSi-type crystals using first principles calculations,and discovered that more than 70 members are node-line semimetals.A new type of multi-loop structure was found in AsRhTi that a s-NL touches robustly with a m-NL at some“nexus point,and in the meanwhile a second m-NL crosses with the s-NL to form a *** the previously proposed Hopf-link formed by two s-NLs or two m-NLs,a Hopf-link formed by a s-NL and a m-NL requires a minimal three-band model to characterize its essential electronic *** associated topological surface states on different surfaces of AsRhTi crystal were also *** more complicated and exotic multi-loop structure of NLs were predicted in AsFeNb and *** work may shed light on search for exotic multi-loop node-line semimetals in real materials.
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