Strong anisotropic nodal lines in the TiBe family

文献情報

出版日 2019-03-20

DOI 10.1039/C9CP00508K

インパクトファクター 3.676

著者

Z. C. Zou, P. Zhou, Z. S. Ma, L. Z. Sun

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要旨

Using first-principles calculations and k·p model analysis, we find that Dirac nodal lines (DNLs) exist in low energy band structures of real materials of the body-centered cubic TiBe family. The nodal lines are protected by mirror reflection symmetries of the systems. The anisotropic electronic state interaction around the Fermi level produces a strong anisotropic quasi-square shape nodal line in the systems. Moreover, all the systems demonstrate drumhead surface states spanning a large energy window showing their potential in terms of high temperature superconductivity. The slight gap induced by spin–orbit coupling (SOC) indicates that materials of the TiBe family are promising candidates for future experimental studies on nontrivial topological semimetals.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Strong anisotropic nodal lines in the TiBe family

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Physical Chemistry Chemical Physics

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