Insight into high-k silicon interface
The scientists write: "Our study shows that atomic control of the interfacial structure by altering the chemical environment can dramatically improve the electronic properties of the interface to meet technological requirements. The interface structure and its chemistry may provide guidance for the selection process of other high-k gate oxides and for controlling their growth."
The electronic structure calculations and ab initio molecular dynamics simulations were based on density functional theory and the projector augmented wave method. Injection barriers for the two resulting interface structures are also calculated. Researchers from the Clausthal University of Technology and Vienna University carried out the work as part of the European Commission "Integration of very high-k dielectrics with silicon CMOS technology" (INVEST) research programme.
