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We present a robust but still efficient simulation approach forhigh-resolution scanning tunneling microscopy with a flexible tip apex showingsharp submolecular features. The approach takes into account the electronicstructure of sample and tip and relaxation of the tip apex. We validate ourmodel by achieving good agreement with various experimental images which allowsus to explain the origin of several observed features. Namely, we have foundthat high-resolution STM mechanism consists of the standard STM imaging,convolving electronic states of the sample and the tip apex orbital structure,with the contrast heavily distorted by the relaxation of the flexible apexcaused by interaction with the substrate.

Principles and simulations of high-resolution STM imaging with flexible tip apex