Understanding the Clean Interface Between Covalent Si and Ionic Al2O3Hongjun XiangJuarez L. F. da SilvaHoward M. BranzSu-Huai WeiAPS March Meeting Abstracts
We study the coherent and semi-coherent Al/a-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been ...
The material removal rate (MRR or wear rate) depends strongly on the material being polished. Depending on the type of atomic bonding, the crystal structure and the microstructure of the workpiece and the abrasives, the wear mechanisms may differ [4]. The ionic and/or covalent atomic bonds of...
N-2p, Al-3p and Si- 3p are the dominated states and are largely hybridized on the top of the valence band (−9–0 eV), with the band width of the 2p states of N and the 3p states of Al and Si being ~ 9 eV, which is similar to Si3N4, implying that the strong covalent ...
JEMMIS E D,GIJU K T,LESZCZYNSKI J.Ionic to covalent bonding: a density functional theory study of linear and bent X2Y3 monomers (X = B, Al, Ga, In Y = O, S, Se). Electronic Journal of Theoretical Chemistry . 1997JEMMIS E D,GIJU K T,LESZCZYNSKI J.Ionic to covalent bonding...
JEMMIS E D,GIJU K T,LESZCZYNSKI J.Ionic to covalent bonding: a density functional theory study of linear and bent X2Y3 monomers (X = B, Al, Ga, In Y = O, S, Se). Electronic Journal of Theoretical Chemistry . 1997JEMMIS E D,GIJU K T,LESZCZYNSKI J.Ionic to covalent bonding...
The grain ionic conductivity has been characterized only in the case of Ge-based compounds. It is related to the carrier concentration and the structural properties of the NASICON covalent skeleton. The results confirm that the Ti-based framework is more calibrated to Li + migration than the Ge...
This situation results in the wider pseudogaps of both LPSs with pressure, meaning that they have more covalent bonding with pressure. Comparing Figure 13b with Figure 13c carefully, it can be found that the DOS profiles in the energy region between −4.0 and 3.0 eV for both Ti d and ...
The two newly generated non-bridged oxygen atoms are linked by Mg2+ ions that resemble ionic bonds [23], which are weaker than the covalent bonds in the cordierite. Therefore, the etching rate of the amorphous phase is higher than the cordierite phase. phase, Mg2+ ions break up the SiO2...
width of the 2pstates of N and the 3pstates of Al and Si being ~9 eV, which is similar to Si3N4, implying that the strong covalent bonding of (Si,Al)–N forms. Within lower energy ranges (<−13 eV), N-2s, Si-3sand Al-3s, as well as Ca-3s, are dominant, and the ...