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Recently the superconductivity has been discovered in the rock-salt structured binary lanthanum monoxide LaO through the state-of-the-art oxide thin-film epitaxy. This work reveals the normal state of superconducting LaO to be a $Z_2$ nontrivial topological metal that the Dirac point protected by the crystal symmetry is located at around the Fermi energy. By analysing the orbital characteristics, the nature of topological band structure of LaO originates from the intra-atomic transition in energy from outer shell La 5$d$ to inner shell 4$f$ orbitals driven by the strong octahedral crystal-field. Furthermore, the appearance of novel surface states unambiguously demonstrates the topological signature of LaO. Our theoretical findings not only shed light into the understanding of exotic quantum behaviors in LaO superconductor with intimate correlation between 4$f$ and 5$d$ orbitals in La, but also provide an exciting platform to explore the interplay of intriguing nontrivial topology and superconductivity.
The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations of the op
The discovery of infinite layer nickelate superconductor marks the new era in the field of superconductivity. In the rare-earth (Re) nickelates ReNiO2, although the Ni is also of d9 electronic configuration, analogous to Cu d9 in cuprates, whether el
New germanium-platinum compounds with the filled-skutterudite crystal structure were synthesized. The structure and composition were investigated by X-ray diffraction and microprobe analysis. Magnetic susceptibility, specific heat, and electrical res
The design and synthesis of targeted functional materials have been a long-term goal for material scientists. Although a universal design strategy is difficult to generate for all types of materials, however, it is still helpful for a typical family
We have performed high-resolution angle-resolved photoemission spectroscopy on FeSe superconductor (Tc ~ 8 K), which exhibits a tetragonal-to-orthorhombic structural transition at Ts ~ 90 K. At low temperature we found splitting of the energy bands a