Physical review. B./Physical review. B · 2019 · 15 citations · 33 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSurface ScienceThin FilmsSemiconductor SurfacesSurface Chemistry Of SolidsSurface CrystallographySurface PhysicsSurface SpectroscopyFilm Growth MechanismsIncommensurate StructuresInterfacial FilmsSurface Alloy StructureSurface DisorderSurface Electronic StructureSurface States
Ultrathin Pb and Ge films deposited on Ag(111) surfaces have been investigated and compared. We found that at 1/3 ML, both films formed surface alloys, ${\mathrm{Ag}}_{2}\mathrm{Pb}$ and ${\mathrm{Ag}}_{2}\mathrm{Ge}$, with $\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3}R{30}^{\ensuremath{\circ}}$ and $\frac{19}{20}\sqrt{3}\ifmmode\times\else\texttimes\fi{}\frac{19}{20}\sqrt{3}R{30}^{\ensuremath{\circ}}$ structures on Ag(111) but the surface electronic structures exhibit a most evident difference at the Ag(111) surface zone boundary ${\overline{M}}_{\mathrm{Ag}(111)}$, where the single band and the splitting ones were observed, respectively. Up to 1 ML, ${\mathrm{Ag}}_{2}\mathrm{Ge}$ subsequently develops into germanene with a striped phase and then a quasifreestanding phase, as previously reported [Lin et al., Phys. Rev. Mater. 2, 024003 (2018)], while ${\mathrm{Ag}}_{2}\mathrm{Pb}$ evolves to a dense Pb(111) phase that also reveals splitting bands at ${\overline{M}}_{\mathrm{Ag}(111)}$. We discover that the larger (smaller) atomic size of a Pb (Ge) atom with respect to an Ag atom causes the commensurate (incommensurate) interfaces and further demonstrate that the splitting bands of ${\mathrm{Ag}}_{2}\mathrm{Ge}$ surface alloy and 1-ML Pb film originated from the commonly incommensurate interface with Ag(111), which mediates umklapp scattering by inducing the mirror image of the pristine ${\mathrm{Ag}}_{2}\mathrm{Ge}$ and Pb(111) bands relative to ${\overline{M}}_{\mathrm{Ag}(111)}.$
33
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
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17