QuantumATK can take these effects into account and simulate band alignment in interfaces (front, back end, etc.) in solar cells comprised of different materials, impact of defects, simulate photocurrent and open circuit voltage (OCV) measurements. Generate random alloys for any type of geometry using our built-in genetic Special Quasi-Random Structures (SQS) algorithm, which is faster than open-ended Monte Carlo simulations in other codes.Р”Р„bundance of new materials and lack of efficient devices for solar cells (silicon, thin film, etc.) highlight the need for ab initio atomic-scale simulations, which include important effects such as confinement of electrons and phonons, surface effects, and strain.Use our efficient implementation to calculate phonon-limited electron mobility (less complex and time-consuming compared to other implementations).Calculate bandstructures and extract effective masses from the bands to be inserted in TCAD advanced transport simulations.Although it is possible to measure some of these parameters experimentally, it is much simpler and faster to obtain them from atomic-scale simulations with QuantumATK. This, consequently, has a primary impact on the carrier transport in the channel and requires TCAD models to be equipped with new relevant parameters.

The change in composition and 2D quantum-mechanical confinement of semiconductor structure in, for example, a nanosheet, significantly alters the bandstructure, resulting in changes to the effective masses and mobility of the carriers relative to bulk materials. With transistor scaling, new channel structures and materials need to be investigated as a means to improve carrier mobility and achieve the target performance.

Quantumwise graphene transistor