Abstract

The rapid development of ab initio methods makes possible the test of semi-empirical potentials which retain some advantages in the simulation of large systems. Even systems involving oxygen vacancies can be studied with semi-empirical methods. Modelling of the Si(1 0 0)-SiO2 interface raises some specific problems due to charge transfers and severe simplifications are still necessary.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call