Valence and conduction band offsets of a ZrO 2 /SiO x N y /n-Si CMOS gate stack: A combined photoemission and inverse photoemission study The densities of states above and below the Fermi energy for the ZrO2/SiOxNy/n-Si system are examined by photoemission and inverse photoemission and comp...
This paper deals with a new type of SiC bonding where silicon atom seems to bridge C60 molecules. We have studied films obtained by deposition of (C60)<italic>n</italic>Si<italic>m</italic> clusters prepared in
Contour plots of the charge density show the Ni—Si bond to be slightly stronger than the Ni—Ni and also that there is a large metallic component to the bonding. 展开 关键词: linearcombination-of-Gaussian-orbitals Ni3Si energy relaxation density DOI: 10.1103/...
In addition, we found a slightly bent chain of individual Siunits to exhibit the lowest binding energy among the present group of Siclusters studied here.doi:10.1016/j.cplett.2017.06.022Edan BainglassCedric L. MayfieldMuhammad N. HudaChemical Physics LettersChemical Physics Letters...
Electron spectroscopy study of the Si–O bonding and the polarization screening near the Si‐SiO2 interface 来自 Semantic Scholar 喜欢 0 阅读量: 29 作者:A. Iqbal,C. W. Bates,J. W. Allen 摘要: Electron spectroscopy studies of thermally grown SiO2on Si, α‐quartz, α‐cristobalite, and ...
In pre- vious studies9,10 on the deMon DFT calculations11,12 by energy shift of WD (work function and other ener- gies) values to account for solid-state effects, we cal- culated core-electron binding energies (CEBE)s of eight polymers involving (C, N, O, F, S, Cl) atoms, seven...
R., Bonding in Silicates: Investigation of the Si L2,3 Edge by Parallel Electron Energy-Loss SpectroscopyThe Si L 2,3 core-loss edge can be used to probe the crystal chemistry around Si, ... LAJ Garvie,PR Buseck - 《American Mineralogist》 被引量: 2发表: 1999年 Bonding in silicates:...
The minimum energy structures were produce... W Tiznado,OB OñA,MC Caputo,... - 《Journal of Chemical Theory & Computation》 被引量: 20发表: 2009年 Supramolecular complexes based on molybdates and different Co(III)-ammine units via electrostatic and H−bonding interactions The rational ...
andk-point and replicates phenomena such as electron–phonon scattering on the electronic states.vknαrepresents the group velocity. The first derivative of the band energy (ϵkn) with respect to the appropriate Cartesian component (α) of thek-vector yields thevknαfor each band (n) andk-...
The bonding natures of all the six isomers are analyzed seriously. The calculated results are compared with those of analogous molecules [Si, Si, N, S], [Si, C, P, S], and [Si, C, N, O]. Implications of the computational structures and spectroscopies are also discussed. 展开 ...