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Distortion of electronic structure in HfO2 induced by the out-diffused As from GaAs substrate
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10.1063/1.4804059
/content/aip/journal/jap/113/18/10.1063/1.4804059
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/18/10.1063/1.4804059
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Figures

Image of FIG. 1.
FIG. 1.

(a) The crystal structure of monoclinic HfO unit cell; (b) band structure of unit monoclinic HfO from Z, G, Y, A, B, to D obtained at HSE06 level.

Image of FIG. 2.
FIG. 2.

(a) Optimized atomic scale structure of As in O3 vacancy of HfO; (b) local density of states of As, O ion near As, Hf ion near As, bulk O, and bulk Hf in As in O3 vacancy structure.

Image of FIG. 3.
FIG. 3.

(a) Optimized atomic scale structure of As in O4 vacancy of HfO; (b) local density of states of As, O ion near As, Hf ion near As, bulk O, and bulk Hf in As in O4 vacancy structure.

Image of FIG. 4.
FIG. 4.

(a) Optimized atomic scale structure of interstitial As in HfO; (b) local density of states of As, O ion near As, Hf ion near As, bulk O, and bulk Hf in interstitial As in HfO structure.

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/content/aip/journal/jap/113/18/10.1063/1.4804059
2013-05-10
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Distortion of electronic structure in HfO2 induced by the out-diffused As from GaAs substrate
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/18/10.1063/1.4804059
10.1063/1.4804059
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