Physical review. B./Physical review. B · 2020 · 23 citations · 61 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsQuantum MechanicsSolid State PhysicsCrystal SymmetryElectronic Band StructureMagnetic Properties Of SolidsMagnetism In SolidsTopological MaterialsTopological Phases Of MatterBrillouin ZonesChern NumbersElectronic Structure AnalysisFirst-principles MagnetismMagnetic PropertiesSpin-orbit Coupling EffectsTopological Semimetallic PhasesTopological Semimetals
We investigate the magnetic transport properties and electronic structures of single crystal CoSi via angle-dependent quantum oscillation measurements. Prominent de Haas--van Alphen oscillations have been observed with the magnetic field tilting from $B\ensuremath{\parallel}[001]$ to $B\ensuremath{\parallel}[110]$, from which three fundamental frequencies are extracted. The low frequency ${F}_{\ensuremath{\alpha}}$, first observed in quantum oscillations, presents the contribution from the hole pocket at the Brillouin zone (BZ) center $\mathrm{\ensuremath{\Gamma}}$ point. Two high frequencies ${F}_{\ensuremath{\beta}}$ and ${F}_{\ensuremath{\gamma}}$, accompanied with asymmetrical peaks in the fast Fourier-transform spectra, are confirmed to stem from the electron pockets with spin-orbit coupling (SOC) at the BZ corner $R$ point. Combined with the analysis of first-principles calculations, the asymmetry of peaks originate from the SOC-induced band splitting when $B\ensuremath{\parallel}[110]$ and the irregular Fermi pockets when $B\ensuremath{\parallel}[001]$, respectively.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17