Physical review. B./Physical review. B · 2019 · 10 citations · 33 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsDensity Functional TheoryElectronic Band StructureElectronic SpectroscopyElectronic StructureElectronic Structure Of SolidsPhotoelectron SpectroscopyAngle-resolved Photoelectron SpectroscopyAngle-resolved Photoemission SpectroscopyDynamical Mean-field TheoryElectronic Band TheoryElectronic Structure AnalysisFermi LevelFermi SurfaceValence Band
The electronic structure of a M\"obius Kondo insulator candidate of CeRhSb has been investigated by employing angle-resolved photoemission spectroscopy, density functional theory (DFT) band calculations, and dynamical mean-field theory (DMFT) band calculations. Fermi surfaces (FSs) and band structures are successfully measured for three orthogonal crystallographic directions. A sharp Ce $4f$ peak is observed at the Fermi level (${E}_{\text{F}}$), and its temperature ($T$) evolution agrees with that of the Ce $4f$ Kondo resonance. The metallic FSs are obtained for all three different (100), (010), and (001) planes. The Ce $4f$ FSs are described properly by the unfolded DFT calculations considering the reduced Ce-only unit cell. The $T$ dependence of Ce $4f$ states as well as the dispersive coherent Ce $4f$ bands are described well by the DMFT calculations and reveal the anisotropic $c\text{\ensuremath{-}}f$ hybridization. The photon energy dependence of the Fermi-edge states in CeRhSb reveals the three-dimensional character, consistent with the bulk states dispersing to ${E}_{\text{F}}$ over a larger energy scale rather than the predicted M\"obius topological surface states.
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Maxim Dzero, Kai Sun, Victor Galitski et al. · Physical Review Letters · 2010 · 835 citations · Full text
Unfolding First-Principles Band Structures
Wei Ku, Tom Berlijn, Chi‐Cheng Lee · Physical Review Letters · 2010 · 347 citations · Full text