Formation of atomically ordered and chemically selective Si-O-Ti monolayer on Si0.5Ge0.5(110) for a MIS structure via H2O2(g) functionalization.

Si0.5Ge0.5(110) surfaces were passivated and functionalized using atomic H, hydrogen peroxide (H2O2), and either tetrakis(dimethylamino)titanium (TDMAT) or titanium tetrachloride (TiCl4) and studied in situ with multiple spectroscopic techniques. To passivate the dangling bonds, atomic H and H2O2(g) were utilized and scanning tunneling spectroscopy (STS) demonstrated unpinning of the surface Fermi level. The H2O2(g) could also be used to functionalize the surface for metal atomic layer deposition. After subsequent TDMAT or TiCl4 dosing followed by a post-deposition annealing, scanning tunneling microscopy demonstrated that a thermally stable and well-ordered monolayer of TiOx was deposited on Si0.5Ge0.5(110), and X-ray photoelectron spectroscopy verified that the interfaces only contained Si-O-Ti bonds and a complete absence of GeOx. STS measurements confirmed a TiOx monolayer without mid-gap and conduction band edge states, which should be an ideal ultrathin insulating layer in a metal-insulator-semiconductor structure. Regardless of the Ti precursors, the final Ti density and electronic structure were identical since the Ti bonding is limited by the high coordination of Ti to O.

The influence of surface preparation on low temperature HfO2 ALD on InGaAs (001) and (110) surfaces.

Current logic devices rely on 3D architectures, such as the tri-gate field effect transistor (finFET), which utilize the (001) and (110) crystal faces simultaneously thus requiring passivation methods for the (110) face in order to ensure a pristine 3D surface prior to further processing. Scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), and correlated electrical measurement on MOSCAPs were utilized to compare the effects of a previously developed in situ pre-atomic layer deposition (ALD) surface clean on the InGaAs (001) and (110) surfaces. Ex situ wet cleans are very effective on the (001) surface but not the (110) surface. Capacitance voltage indicated the (001) surface with no buffered oxide etch had a higher C(max) hypothesized to be a result of poor nucleation of HfO2 on the native oxide. An in situ pre-ALD surface clean employing both atomic H and trimethylaluminum (TMA) pre-pulsing, developed by Chobpattana et al. and Carter et al. for the (001) surface, was demonstrated to be effective on the (110) surface for producing low D(it) high C(ox) MOSCAPs. Including TMA in the pre-ALD surface clean resulted in reduction of the magnitude of the interface state capacitance. The XPS studies show the role of atomic H pre-pulsing is to remove both carbon and oxygen while STM shows the role of TMA pre-pulsing is to eliminate H induced etching. Devices fabricated at 120 °C and 300 °C were compared.

Density-Functional Theory Molecular Dynamics Simulations and Experimental Characterization of a-Al2O3/SiGe Interfaces.

Density-functional theory molecular dynamics simulations were employed to investigate direct interfaces between a-Al2O3 and Si0.50Ge0.50 with Si- and Ge-terminations. The simulated stacks revealed mixed interfacial bonding. While Si-O and Ge-O bonds are unlikely to be problematic, bonding between Al and Si or Ge could result in metallic bond formation; however, the internal bonds of a-Al2O3 are sufficiently strong to allow just weak Al bonding to the SiGe surface thereby preventing formation of metallic-like states but leave dangling bonds. The oxide/SiGe band gaps were unpinned and close to the SiGe bulk band gap. The interfaces had SiGe dangling bonds, but they were sufficiently filled that they did not produce midgap states. Capacitance-voltage (C-V) spectroscopy and angle-resolved X-ray photoelectron spectroscopy experimentally confirmed formation of interfaces with low interface trap density via direct bonding between a-Al2O3 and SiGe.

Density functional theory based study of graphene and dielectric oxide interfaces.

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a first principles density functional theory based electronic structure method and a local density approximation. We consider the dielectric oxides SiO(2) (α-quartz) and Al(2)O(3) (alumina or α-sapphire), each with two surface terminations. Our study suggests that atomic relaxations and resulting equilibrium separations play a critical role in perturbing the linear band structure of graphene in contrast to the less critical role played by dangling bonds that result from cleaving the crystal in a particular direction. For Si-terminated quartz a Dirac cone is retained while it is restored on adding a second graphene layer for O-terminated quartz. Alumina needs more than two graphene layers to preserve the Dirac cone. Our results are, at best, semi-quantitative for the common amorphous forms of the oxides considered.