Physical Review Letters · 1997 · 83 citations · 21 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsSurface ScienceAb Initio MethodsElectronic Band StructureElectronic Structure Of SolidsMetalsSurface EnergeticsSurface PhysicsAb Initio Potential Energy SurfacesBond Formation MechanismsFirst-principles Electronic StructureSurface Electronic StructureSurface Lattice GeometrySurface StatesSurface StressSurface Stress Analysis
We describe Sb-rich reconstructions of nearly lattice-matched AlSb and GaSb (001) surfaces using scanning tunneling microscopy/spectroscopy and first-principles electronic structure calculations. Whereas AlSb reconstructs to an insulating $c\left(4\ifmmode\times\else\texttimes\fi{}4\right)$ surface like that of other III-V compounds, GaSb forms $c\left(2\ifmmode\times\else\texttimes\fi{}10\right)$ and $\left(2\ifmmode\times\else\texttimes\fi{}10\right)$ surfaces that are weakly metallic and violate the electron counting model. We attribute the differences to a competition between the energy gain from Sb-Sb bond formation and the cost from the increased surface stress (which depends on the elastic properties of the substrate).
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Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
Elastic Properties of ZnS Structure Semiconductors
Richard M. Martin · Physical review. B, Solid state · 1970 · 1.3K citations