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Sulfur passivation effect on interface: A first-principles study
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10.1063/1.3597219
/content/aip/journal/apl/98/23/10.1063/1.3597219
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/23/10.1063/1.3597219
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) and (b) represent side view of the interface (O9/Ga4 and O9/S/Ga4 models). Ga, As, Hf, S, and O atoms are depicted by gray, purple, light blue, yellow, and red balls, respectively. The Ga atoms with dangling bonds and an As dimer atom are highlighted by green dashed circles.

Image of FIG. 2.
FIG. 2.

Calculated interface state density of interface and . VBM (CBM) is valence (conduction) band edge maxima (minima). P1, P2, and P3 are the distributions within the GaAs band gap region without S passivation.

Image of FIG. 3.
FIG. 3.

(a) and (b) represent the side view of the partial charge density of the interface O9/Ga4 and O9/S/Ga4 models. The Ga, As, Hf, S, and O atoms are depicted by gray, purple, light blue, yellow, and red balls, respectively. Light yellow color indicates partial charge distribution. The O9/Ga4 and O9/S/Ga4 model electron densities are and , respectively.

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/content/aip/journal/apl/98/23/10.1063/1.3597219
2011-06-10
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Sulfur passivation effect on HfO2/GaAs interface: A first-principles study
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/23/10.1063/1.3597219
10.1063/1.3597219
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