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Register a new userBand splitting and Weyl nodes in trigonal tellurium studied by angle-resolved photoemission spectroscopy and density functional theory
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We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on trigonal tellurium consisting of helical chains in the crystal. Through the band-structure mapping in the three-dimensional Brillouin zone, we found a definitive evidence for the band splitting originating from the chiral nature of crystal. A direct comparison of the band dispersion between the ARPES results and the first-principles band-structure calculations suggests the presence of Weyl nodes and tiny spin-polarized hole pockets around the H point. The present result opens a pathway toward studying the interplay among crystal symmetry, band structure, and exotic physical properties in chiral crystals.
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We have performed angle-resolved photoemission spectroscopy of Bi(111) thin films grown on Si(111), and investigated the evolution of band structure with temperature. We revealed an unexpectedly large temperature variation of the energy dispersion for the Rashba-split surface state and the quantum-well states, as seen in the highly momentum-dependent energy shift as large as 0.1 eV. A comparison of the band dispersion between experiment and first-principles band-structure calculations suggests that the interlayer spacing at the topmost Bi bilayer expands upon temperature increase. The present study provides a new pathway for investigating the interplay between lattice and electronic states through the temperature dependence of band structure.
PtBi2 with a layered trigonal crystal structure was recently reported to exhibit an unconventional large linear magnetoresistance, while the mechanism involved is still elusive. Using high resolution angle-resolved photoemission spectroscopy, we present a systematic study on its bulk and surface electronic structure. Through careful comparison with first-principle calculations, our experiment distinguishes the low-lying bulk bands from entangled surface states, allowing the estimation of the real stoichiometry of samples. We find significant electron doping in PtBi2, implying a substantial Bi deficiency induced disorder therein. We discover a Dirac-cone-like surface state on the boundary of the Brillouin zone, which is identified as an accidental Dirac band without topological protection. Our findings exclude quantum-limit-induced linear band dispersion as the cause of the unconventional large linear magnetoresistance.
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces using a combination of density functional theory (DFT) and angle-resolved photoemission spectroscopy (ARPES). We were able to perform large-scale first principles simulations and capture effects of different surface reconstructions by using DFT calculations with a machine-learned Hubbard U correction [npj Comput. Mater. 6, 180 (2020)]. To facilitate direct comparison with ARPES results, we implemented a bulk unfolding scheme by projecting the calculated band structure of a supercell surface slab model onto the bulk primitive cell. For all three surfaces, we find a good agreement between DFT calculations and ARPES. For InAs(001), the simulations clarify the effect of the surface reconstruction. Different reconstructions are found to produce distinctive surface states. For InAs(111) and InSb(110), the simulations help elucidate the effect of oxidation. Owing to larger charge transfer from As to O than from Sb to O, oxidation of InAs(111) leads to significant band bending and produces an electron pocket, whereas oxidation of InSb(110) does not. Our combined theoretical and experimental results may inform the design of quantum devices based on InAs and InSb semiconductors, e.g., topological qubits utilizing the Majorana zero modes.
The electronic structure of LaOFeAs, a parent compound of iron-arsenic superconductors, is studied by angleresolved photoemission spectroscopy. By examining its dependence on photon energy, polarization, sodium dosing and the counting of Fermi surface volume, both the bulk and the surface contributions are identified. We find that a bulk band moves toward high binding energies below structural transition, and shifts smoothly across the spin density wave transition by about 25 meV. Our data suggest the band reconstruction may play a crucial role in the spin density wave transition, and the structural transition is driven by the short range magnetic order. For the surface states, both the LaO-terminated and FeAs-terminated components are revealed. Certain small band shifts are verified for the FeAs-terminated surface states in the spin density wave state, which is a reflection of the bulk electronic structure reconstruction. Moreover, sharp quasiparticle peaks quickly rise at low temperatures, indicating of drastic reduction of the scattering rate. A kink structure in one of the surface band is shown to be possibly related to the electron-phonon interactions.
The localized-to-itinerant transition of f electrons lies at the heart of heavy-fermion physics, but has only been directly observed in single-layer Ce-based materials. Here, we report a comprehensive study on the electronic structure and nature of the Ce 4f electrons in the heavy-fermion superconductor Ce2PdIn8, a typical n=2 CenMmIn3n+2m compound, using high-resolution and 4d-4f resonance photoemission spectroscopies. The electronic structure of this material has been studied over a wide temperature range, and hybridization between f and conduction electrons can be clearly observed to form a Kondo resonance near the Fermi level at low temperatures. The characteristic temperature of the localized-to-itinerant transition is around 120K, which is much higher than its coherence temperature Tcoh~30K.
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