Influence of sample momentum space features on scanning tunnelling microscope measurements
Maxwell T West, Muhammad Usman
NANOSCALE | ROYAL SOC CHEMISTRY | Published : 2021
Theoretical understanding of scanning tunnelling microscopy (STM) measurements involve electronic structure details of the STM tip and the sample being measured. Conventionally, the focus has been on the accuracy of the electronic state simulations of the sample, whereas the STM tip electronic state is typically approximated as a simple spherically symmetric s orbital. This widely used s orbital approximation has failed in recent STM studies where the measured STM images of subsurface impurity wave functions in silicon required a detailed description of the STM tip electronic state. In this work, we show that the failure of the s orbital approximation is due to the indirect band-gap of the s..View full abstract
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Awarded by Australian Research Council (ARC) funded Center for Quantum Computation and Communication Technology
Awarded by USA Army Research Office
The authors acknowledge useful discussions with Lloyd Hollenberg. This work was supported by the Australian Research Council (ARC) funded Center for Quantum Computation and Communication Technology (CE170100012), and partially funded by the USA Army Research Office (W911NF-08-1-0527). Computational resources were provided by the National Computing Infrastructure (NCI) and Pawsey Supercomputing Center through National Computational Merit Allocation Scheme (NCMAS). This research was undertaken using the LIEF HPC-GPGPU Facility hosted at the University of Melbourne. This Facility was established with the assistance of LIEF Grant LE170100200.