Strong anisotropic nodal lines in the TiBe family

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 sta...

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Bibliographic Details
Published inPhysical chemistry chemical physics : PCCP Vol. 21; no. 16; pp. 8402 - 8407
Main Authors Zou, Z C, Zhou, P, Ma, Z S, Sun, L Z
Format Journal Article
LanguageEnglish
Published England Royal Society of Chemistry 2019
Subjects
Anisotropy
Electron states
First principles
High temperature
Metalloids
Spin-orbit interactions
Superconductivity
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Summary: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.
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ISSN:1463-9076
1463-9084
DOI:10.1039/c9cp00508k