Fermi level pinning and Hf–Si bonds at HfO2: Polycrystalline silicon gate electrode interfaces

Doped polycrystalline Si (poly-Si) gate electrodes on HfO2 films on Si substrates are found not to cause as large shifts in the flat band voltage as those of SiO2 on Si. This effect has been attributed to a weak pinning of the Fermi level at the top poly-Si HfO2 interface. The effect is shown to be consistent with the formation of Hf–Si bonds at an otherwise O-terminated oxide interface. Vacancies, divacancies, and substitutional Si atoms are introduced into models of oxygen-terminated Si–HfO2 (100) interfaces and the resulting Hf–Si bonds are found to create a metallic interface with the Fermi level pinned at about 0.3 eV below the Si conduction band-edge.