Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

The progress of modern electronics largely depends on the possible emergence previously unknown materials in electronic technology. search for and combination new with extraordinary properties used production small-sized devices improvement existing due to improved technology their manufacture processing, general, will determine highly promising electronics. In order solve problematic tasks miniaturization components an increase level connection integrated circuits, forms are being created using nanomaterials controlled electrophysical characteristics. One unique fullerene structures is that they can enclose one or several atoms inside carbon framework. Such usually called endohedral fullerenes. characteristics fullerenes significantly depend encapsulated atom, which makes it control them by choosing atom required property. Within framework density functional theory method nonequilibrium Green’s functions, features electron transport nanojunctions were considered, demonstrate “core–shell” nanoobjects, “core” alkali halide crystal—KI—and “shell” C180 located between gold electrodes (in nanogap). values total energy stability diagram a single-electron transistor based (KI)@C180 determined. dependence molecules charge state presented. ranges Coulomb blockade, as well areas associated central diamond calculated.