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First-principles studies of the intrinsic effect of nitrogen atoms on reduction in gate leakage current through Hf-based high- dielectrics
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10.1063/1.1899232
/content/aip/journal/apl/86/14/10.1063/1.1899232
http://aip.metastore.ingenta.com/content/aip/journal/apl/86/14/10.1063/1.1899232

Figures

Image of FIG. 1.
FIG. 1.

(Color) Initial atomic configurations of models investigated, containing one and two N atoms: (a) Two N atoms are at the nearest neighbor (NN) O sites to ; (b) one N is at the nearest neighbor O site, and the other is at the second nearest neighbor (SNN) O site to ; (c) two N are at the second nearest neighbor O sites to .

Image of FIG. 2.
FIG. 2.

Calculated band structures: (a) energy band structures of a simple ; (b) energy band structures of the model A, containing one and two N atoms.

Image of FIG. 3.
FIG. 3.

Schematic illustration of N incorporation effects: (a) N-induced atomistic relaxation around . (1) Electron transfer from to N atoms; (2) outward movement of ions due to the increase in Coulomb repulsion; (b) N-induced elimination of leakage paths; (3) drastic level elevation due to the decrease in attractive Coulomb interaction from ions around ; (4) removal of leakage paths due to the elimination of a level.

Tables

Generic image for table
Table I.

Total energy differences compared to that of model A.

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/content/aip/journal/apl/86/14/10.1063/1.1899232
2005-03-31
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles studies of the intrinsic effect of nitrogen atoms on reduction in gate leakage current through Hf-based high-k dielectrics
http://aip.metastore.ingenta.com/content/aip/journal/apl/86/14/10.1063/1.1899232
10.1063/1.1899232
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