| Autor: |
Bishop SR; Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive 0358, La Jolla, California 92093-0358, USA., Clemens JB, Chagarov EA, Shen J, Kummel AC |
| Jazyk: |
angličtina |
| Zdroj: |
The Journal of chemical physics [J Chem Phys] 2010 Nov 21; Vol. 133 (19), pp. 194702. |
| DOI: |
10.1063/1.3501371 |
| Abstrakt: |
Ordered, low coverage to monolayer, high-κ oxide adsorption on group III rich InAs(0 0 1)-(4×2) and In(0.53)Ga(0.47)As(0 0 1)-(4×2) was modeled via density functional theory (DFT). Initial adsorption of HfO(2) and ZrO(2) was found to remove dangling bonds on the clean surface. At full monolayer coverage, the oxide-semiconductor bonds restore the substrate surface atoms to a more bulklike bonding structure via covalent bonding, with the potential for an unpinned interface. DFT models of ordered HfO(2)/In(0.53)Ga(0.47)As(0 0 1)-(4×2) show it fully unpins the Fermi level. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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