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Bulk systems using Hamiltonian diagonalization of the Unit Cel



GaAs Band structure with LS coupling using the TB parametrization of Jancu et al ,
Phys Rev B 57 (1998) 6493.


PDOS for Ni-fcc spin-polaized calculated with EHT



Final PDOSK fit between EHT (solid lines) and siesta (dashed lines).


Bulk systems using Green's functions



Fermi Surfaces for Cu calculated with EHT



Fermi Surface (top map) and k-resolved conductance (bottom map) for Nb(100)




Projected Band Structure and PDOS(E,k) dispersion curve for bulk Ag(111)

Surface (semi-infinite) systems using Green's functions



Fermi Surfaces projected on the atoms at the two surface-most layers for the Cu(110)+c(2x2)-Si system.



Surface Band dispersion forCu(110)-c(2x2)+Si projected on the surface aotms



PDOS(E,k) projected on the atoms at the surface-most PL (top map) and on the surface states (bottom map)


STM tips modeled as surface (semi-infinite) systems consisting of an isolated cluster (apex) coupled to a semi-infinite bulk



Left: Side and top views for a W(111)+4Si tip
Right: Side and top views for a Pt(111)+4Pt tip




DOS(E) projected on the apex atoms for several O-terminated tips


Conductance of several clean tips probed by an electronically flat substrate

STM/STS sample calculations



STM Current Image for Ag(111)-p(4x4)+Ag2O probed with a Pt(100)++4sesseveral tips4Pt tip




STM topographic image of Pd(111)-(-/3x/3)R30+2H2O probed with a Pt(111)+4Pt tip.

Left: Water bilayer in up & down configurations




di/dV for Ag(111) for different tips.
Solid curves give the dI/dV, while dahsed lines gives the conductance of the Ag(111) probed by each tip assuming the tip electronically flat (i.e. only surface electronic features are present).


k-resolved maps of the conductance across the Ag(111) surface probed with a Pt(111)+4Pt tip.
In the calcualtion the tip electronic structure is fixed to that at the Fermi level (i.e it is electronically flat). Each map covers the enegy range indicated at the top (w.r.t. the Fermi level)




STM topographic image of Cu(110)-c(2x2)+CuSi probed with a W(110)+5W tip.
V=100 mV, I=1 nAmp
Squares -> Si atoms & Circles -> Cu atoms



Geometry and STM topographic image of the Pd(111)-p(2x2)+COhcp+Ofcc system imaged with an Ir(111)+4Ir tip.

CO (O) molecules appear as white (black) circles in the STM image.


STM topographic image of the Si(111)-p(7x7) probed with a Pt(100)+5Pt tip.
V=100 mV, I=1 nAmp


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