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Scanning tunneling microscopy/scanning tunneling spectroscopy simulation of Si(111)√3×√3-B surface
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1991
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Materials ScienceSurface CharacterizationTip ApexEngineeringElectronic MaterialsPhysicsTunneling MicroscopySurface AnalysisSurface ScienceApplied PhysicsQuantum MaterialsCondensed Matter Physics√3×√3-B SurfaceSpectroscopy SimulationSemiconductor MaterialNegative Differential Resistance
Mechanism of the negative differential resistance (NDR) observed in the scanning tunneling spectroscopy of the Si(111)√3×√3-B surface is discussed based on the simulation with the first-principles electronic states calculation. The NDR is reproduced by the W10[111] tip model, but not by the W14[110] and Pt10[111] models. The presence of the localized dangling bond state near EF for the surface in conjunction with a single tunnel active orbital at the tip apex causes the NDR.