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Intrinsic origin of negative fixed charge in wet oxidation for silicon carbide
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10.1063/1.4722782
/content/aip/journal/apl/100/21/10.1063/1.4722782
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/21/10.1063/1.4722782
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Formation energy diagram and optimized structures for the models including (a) one C atom, (b) one C atom and one H atom, and (c) one C atom and three H atoms in the unit cell. Dashed, solid, and dotted lines in the formation energy diagram show neutral, 1–, and 2– charge state, respectively. Optimized structures are shown for neutral state in panel (a), and for 1– charge state for panels (b) and (c). Distances are measured in units of Å.

Image of FIG. 2.
FIG. 2.

Schematic illustration of structural change for CO3-like moiety.

Image of FIG. 3.
FIG. 3.

Energy levels around energy gap at the point and the distribution of wave functions for the system including one C atom and one H atom in 1– charge state. Energies are measured from the SiO2 valence band top. The isovalues for the wave-function distribution are +0.12 (gray) and −0.12 (black) (e/Å3)1/2.

Image of FIG. 4.
FIG. 4.

Energy levels around energy gap at the point and the distribution of wave functions for the system including one C atom and three H atoms in 1– charge state. Energies are measured from the SiO2 valence band top. The isovalues for the wave-function distribution are +0.12 (gray) and −0.12 (black) (e/Å3)1/2.

Image of FIG. 5.
FIG. 5.

Optimized structure for the system including one C atom and three H atoms in 1– charge state. Distances are measured in units of Å.

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/content/aip/journal/apl/100/21/10.1063/1.4722782
2012-05-24
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Intrinsic origin of negative fixed charge in wet oxidation for silicon carbide
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/21/10.1063/1.4722782
10.1063/1.4722782
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