Toward solotronics design in the Wigner formalism

The capability of manipulating single dopant atoms in semiconductor materials, with atomic precision, has given birth to a new branch of electronics known as solotronics (solitary dopant optoelectronics). While experiments are advancing rapidly, the theoretical comprehension of quantum phenomena occurring at that scale is relatively basic. Indeed, in this context, simulations come with incredible mathematical challenges. This eventually prevents practical design and optimization of solotronic devices. In this work, we focus our attention on a planar honeycomb structure exploiting single dopants embedded in silicon and study under which conditions it behaves as an electron ballistic channel. To this aim, we apply the time-dependent Wigner Monte Carlo formalism, based on signed particles to simulate and analyze the phenomena occurring in the proposed structure. We show that, by positioning the dopant atoms (phosphorus and boron) in particular planar patterns (honeycomb), it is possible to control the dynamics of a single electron. Finally, by introducing spatial distortions, we can show how the time-dependent electron dynamics is eventually affected. The results confirm that the Wigner Monte Carlo method is an efficient TCAD (Technology Computer Aided Design) tool which can be exploited for the time-dependent simulation of even more realistic situations necessary for the design of active solotronic devices.