Topological Dirac nodal lines and surface charges in fcc alkaline earth metals

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Topological Dirac nodal lines and surface charges in fcc alkaline earth metals

In nodal-line semimetals, the gaps close along loops in k space, which are not at high-symmetry points. Typical mechanisms for the emergence of nodal lines involve mirror symmetry and the π Berry phase. Here we show via ab initio calculations that fcc calcium (Ca), strontium (Sr) and ytterbium (Yb) have topological nodal lines with the π Berry phase near the Fermi level, when spin-orbit interac...

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Emergence of topological nodal loops in alkaline-earth hexaborides XB6 (X = Ca, Sr, and Ba) under pressure.

Based on first-principles calculations, we report that external pressure can induce a topological phase transition in alkaline-earth hexaborides, XB6 (X = Ca, Sr, and Ba). It was revealed that XB6 are transformed from trivial semiconductors to topological node-line semimetals under moderate pressure when the spin-orbit coupling (SOC) is ignored. The band inversion between the B p-orbitals at th...

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ژورنال

عنوان ژورنال: Nature Communications

سال: 2017

ISSN: 2041-1723

DOI: 10.1038/ncomms14022