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An essential problem in semiempirical LCAO calculations of the surface electronic structure of compound semiconductors is the dependence of the results on the values of Hamiltonian parameters. To be more specific, various sets of Hamiltonian parameters, equally well reproducing the dispersion curves and the main band gap of crystal volume, lead to differences in the surface-state dispersion curves...
Theoretical study of the formation of STM images of the GaN(001)-(2x2) surface is presented. Calculation of the tunnelling current between the tip and the substrate is based on the non-equilibrium Green-function formalism. Tunnelling current and conductance, calculated for W and Al tips, and different voltages and distances, are analysed. Our simulations show that for both considered tips, the topography...
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