Interactions of hydrogen with amorphous hafnium oxide

We used density functional theory (DFT) calculations to study the interaction of hydrogen with amorphous hafnia ( a − HfO 2 ) using a hybrid exchange-correlation functional. Injection of atomic hydrogen, its diffusion towards electrodes, and ionization can be seen as key processes underlying charge instability of high-permittivity amorphous hafnia layers in many applications. Hydrogen in many wide band gap crystalline oxides exhibits negative-U behavior (+1 and − 1 charged states are thermodynamically more stable than the neutral state) . Our results show that in a − HfO 2 hydrogen is also negative-U, with charged states being the most thermodynamically stable at all Fermi level positions. However, metastable atomic hydrogen can share an electron with intrinsic electron trapping precursor sites [Phys. Rev. B 94, 020103 (2016).] forming a [ e − t r + O – H ] center, which is lower in energy on average by about 0.2 eV. These electron trapping sites can affect both the dynamics and thermodynamics of the interaction of hydrogen with a − HfO 2 and the electrical behavior of amorphous hafnia films in CMOS devices

Solitons of two-component Bose-Einstein condensates modulated in space and time

In this paper we present soliton solutions of two coupled nonlinear Schodinger equations modulated in the bspace and time. The approach allows us to obatin solitons with large variety of solutions depending on the nonlinearity and the potential profiles. As examples we show three cases with soliton solution in such system, one of them with potential varying between repulsive and attractive behavior and the others with nonlinearity localized and delocalized, respectively.Comment: 18 pages, 8 figure

Calculating adiabatic evolution of the perturbed DNLS/MNLS solitons

A symbolic computation technique is developed to calculate adiabatic evolution equations for parameters of the perturbed DNLS/MNLS solitons obtained by the recently developed direct perturbation theory [X.-J. Chen and J. Yang, Phys. Rev. E {\bf 65}, 066608(2002)]. Effects of the intrapulse Raman scattering, third-order group velocity dispersion, and narrow-banded filters with nonlinear gain on the MNLS solitons are studied as examples.Comment: 10 pages, 1 figure. to be published on Phys. Lett.

Electron energy band alignment at the (100)Si/MgO interface

The electron energy band diagram at the (100)Si/MgO interface is characterized using internal photoemission of electrons and holes from Si into the oxide. For the as-deposited amorphous MgO the interface barriers correspond to a band gap width of 6.1 eV, i.e., much lower than the conventionally assumed bulk crystal value (7.83 eV). The annealing-induced crystallization of MgO mostly affects the energy of the valence band while the conduction band bottom retains its energy position at 3.37 +/- 0.05 eV above the top of the silicon valence band.(C) 2010 American Institute of Physics. (doi:10.1063/1.3294328