M. Devel et al., COMPUTATION OF ELECTROSTATIC FIELDS IN LOW-SYMMETRY SYSTEMS - APPLICATION TO STM CONFIGURATIONS, Physical review. B, Condensed matter, 53(19), 1996, pp. 13159-13168
When complex molecules are placed in interaction with a low-symmetry p
hysical system, an electrostatic field confined at the nanometer scale
arises in a region located around the particles. It is the case in sc
anning tunneling microscopy (STM), where these long-range interactions
modify the intrinsic electrostatic field structure and, thereby, affe
ct the magnitude of the cohesive forces between each adsorbed particle
s. We present a numerical approach of this problem within the framewor
k of the held-propagator method. Starting from the knowledge of the fi
eld distribution associated with a highly symmetrical system (a pair o
f metallic plane electrodes, for example), we derive the self-consiste
nt field distribution for the whole system by introducing a generalize
d field propagator obtained by solving a sequence of Dyson's equations
numerically. The application of this numerical scheme to electrostati
c herd calculations inside a STM junction is studied in detail.