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We have calculated the atomistic mechanism for the HfO2 atomic layer deposition (ALD) using Hf(NEtMe)(4) and H2O precursors using density functional theory. On hydroxylated Si surface, our results show overall Hf(NEtMe)(4) half-reaction is exothermic by 1. ...
Hybrid choice models integrate many types of discrete choice modeling methods, including latent classes and latent variables, in order to capture concepts such as perceptions, attitudes, preferences, and motivatio (Ben-Akiva et al., 2002). Although they pr ...
Hafnium tetrachloride is one of the most commonly used precursors for atomic layer deposition of HfO2. According to the experimental result, chlorine residue is almost unavoidably incorporated during the deposition process. We performed first-principles ca ...
In this work, the tribocorrosion behavior of Ti-12.5Mo, Ti-13Nb-13Zr and Ti-29Nb-13Ta-4.6Zr beta titanium alloys which are candidate biomaterials for joint prostheses is studied against ultra high molecular weight polyethylene in Hank's balanced salt solut ...
We study proton diffusion in amorphous SiO2 and hafnium silicates at the atomic scale. In amorphous SiO2, ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. In ha ...
Metal-insulator-silicon capacitors have been fabricated using novel insulators of SiO2/HfO2-Al2O3-HfO2 (HAH)/Al2O3 and metallic HfN gate, exhibiting a program-erasable characteristic. The memory capacitor presents a large memory window of 2.4 V under +12 V ...
The fluorine incorporation into HfO2 with oxygen vacancies has been investigated using first principles calculations. The authors show that atomic fluorine can efficiently passivate the neutral oxygen vacancy with excess energies of 4.98 and 4.39 eV for th ...
Electronic band gaps and dielectric constants are obtained for amorphous hafnium silicates using first-principles methods. Models of amorphous (HfO2)(x)(SiO2)(1-x) for varying x are generated by ab initio molecular dynamics. The calculations show that the ...
Combinatorial high-vacuum chemical vapor deposition (HV-CVD) was used to identify the conditions required to obtain hafnium-doped lithium niobate thin films on sapphire {001} substrates. Niobium tetraethoxydimethylaminoethoxide (Nb(OEt)(4)(dmae)), lithium ...
Using friction force microscopy, we compared the nanoscale frictional characteristics of atomically thin sheets of graphene, molybdenum disulfide (MoS2), niobium diselenide, and hexagonal boron nitride exfoliated onto a weakly adherent substrate (silicon o ...
