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Band offset of interfaces from first principles
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10.1063/1.2936074
/content/aip/journal/apl/92/26/10.1063/1.2936074
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/26/10.1063/1.2936074

Figures

Image of FIG. 1.
FIG. 1.

VBO for the interface. The dots and the cross denote the segregated In configurations and the CuPt-like configuration, respectively. The VBO ratio is shown in the inset.

Image of FIG. 2.
FIG. 2.

Band offset for interfaces. The dots denote the cases where all indium is nearest neighbor to nitrogen, crosses where indium is randomly distributed and far away from nitrogen, and circles present the intermediate structures between these two extrema.

Tables

Generic image for table
Table I.

Longitudinal lattice constant (in Å), band gap, and shift in VBM from the bulk calculations, the shift in the electrostatic potential from the interface calculations , and finally the VBO . All energies are in the units of meV.

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/content/aip/journal/apl/92/26/10.1063/1.2936074
2008-06-30
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Band offset of InGaAs(N)∕GaAs interfaces from first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/26/10.1063/1.2936074
10.1063/1.2936074
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