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Si (111) 7×7 model

Calculated with FireballTG,McWEDA-LDA functional. The slab has 6Si layers+ 1 hydrogen passivating layer. Only Γ k-point was used

Parameters for STM simulations

Simulations were proceed s,p and d valence electrons on the sample and s orbital on the last atom of the rigid tip apex. All the showed images are constant height scans taken 5Â above the heighest adatom of the sample. Three types of simulations were performed - dI/dV simulation, standart STM (when the tunnelling barrier is changing in one to one correspondence with the applied sample bias) and flat STM (when the barrier was not changing with the applied bias).

Output of the test


Standart STM:

Flat STM:

si_7x7.txt · Last modified: 2017/02/20 16:51 (external edit)