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Environment-dependent interfacial strength using first principles thermodynamics: The example of the Pt-HfO2 interface
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10.1063/1.4826528
/content/aip/journal/jap/114/16/10.1063/1.4826528
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/16/10.1063/1.4826528
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Figures

Image of FIG. 1.
FIG. 1.

(a) Pt-HfO heterostructure containing half a monolayer of O at the interface (θ = 0.5 ML) subjected to a tensile test. The fixed and relaxed layers are indicated. (b) Stress-displacement curve of the same Pt-HfO heterostructure. The evolution of the geometry at different values of the strain is indicated as insets. The shaded area corresponds to .

Image of FIG. 2.
FIG. 2.

Work of separation () in J/m2 of Pt-HfO heterostructures for different interfacial O coverages. The dotted lines denote the cleavage planes. Silver, green, and red atoms correspond to Pt, Hf, and O, respectively.

Image of FIG. 3.
FIG. 3.

Average work of separation ( ) as a function of temperature and O pressure of the Pt-HfO interface. The red square represents the experimental conditions at which a 1.21 J/m2 value was measured.

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/content/aip/journal/jap/114/16/10.1063/1.4826528
2013-10-22
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Environment-dependent interfacial strength using first principles thermodynamics: The example of the Pt-HfO2 interface
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/16/10.1063/1.4826528
10.1063/1.4826528
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