Journal of Raman Spectroscopy · 2019 · 27 citations · 24 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials CharacterizationSolid State PhysicsElectron-phonon InteractionsRaman SpectroscopyX-ray DiffractionImpuritiesPhonon CalculationsPhonon Dispersion RelationsPhonon ScatteringRaman Data AnalysisRaman SpectraRaman Spectral Interpretation
Abstract Impurity‐induced structural distortion in SmB 6 is suggested by Raman spectroscopy study on impurity‐controlled samples. Significant differences in the Raman spectra of single crystals SmB 6 (6N), synthesized with 99.9999%‐pure boron, and SmB 6 (3N), synthesized with 99.9%‐pure boron, are detected. While no noticeable differences are detected in the X‐ray diffraction of SmB 6 (3N) and SmB 6 (6N), all the Raman phonon modes of the T 2g , E g , and A 1g of SmB 6 (3N) are clearly broader and shift to higher wavenumbers than those of SmB 6 (6N), and the T 2g and E g modes of SmB 6 (3N) show doublet features. Based on the high‐pressure Raman measurements and phonon calculation in uniaxial compression model, we argue that small amount of impurities in SmB 6 (3N) is enough to induce anisotropic distortion in the B 6 octahedra, leading to peculiar behaviors in Raman spectrum of SmB 6 (3N). Our results may present a clue for understanding the current puzzles about SmB 6 of various origins with different impurities.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Effects of Configuration Interaction on Intensities and Phase Shifts
U. Fano · Physical Review · 1961 · 11.1K citations