首页|Nontrivial Topological Phases in Ternary Borides M2XB2(M=W,Mo;X=Co,Ni)
Nontrivial Topological Phases in Ternary Borides M2XB2(M=W,Mo;X=Co,Ni)
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The nontrivial band topologies protected by certain symmetries have attracted significant interest in condensed matter physics.The discoveries of nontrivial topological phases in real materials provide a series of archetype materials to further explore the topological physics.Ternary borides M2XB2(M=W,Mo;X=Co,Ni)have been widely investigated as the wear-resistant and high-hardness materials.Based on first-principles calculations,we find the nontrivial topological properties in these materials.Taking W2NiB2 as an example,this material shows the nodal line semimetal state in the absence of spin-orbit coupling.Two types of nodal lines appear near the Fermi level simultaneously.One is protected by the combined space-inversion and time-reversal symmetry,and the other is by the mirror symmetry.Part of these two-type nodal lines form nodal chains.When spin-orbit coupling is included,these nodal lines are fully gapped and the system becomes a strong topological insulator with nontrivial Z2 index(1;000).Our calculations demonstrate that a nontrivial spin-momentum locked surface Dirac cone appears on the((1)10)surface.We also find that other isostructural ternary borides Mo2NiB2,Mo2CoB2,and W2CoB2 possess similar topological band structures.Therefore,our work not only enriches the understanding of band topology for ternary borides,but also lays the foundation for the further study of topological phases manipulation and potential spintronic applications in realistic materials.
袁丹文、岳长明、胡岳芳、张薇
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Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials,College of Physics and Energy,Fujian Normal University,Fuzhou 350117,China
Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering,Fuzhou 350117,China
Academy of Carbon Neutrality of Fujian Normal University,Fuzhou 350007,China
Department of Physics,Southern University of Science and Technology,Shenzhen 518055,China
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国家自然科学基金国家自然科学基金Key Project of Natural Science Foundation of Fujian Province,ChinaGhfund AResearch Foundation of the Academy of Carbon Neutrality of Fujian Normal University,China
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