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Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure
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10.1063/1.4770363
/content/aip/journal/apl/101/24/10.1063/1.4770363
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/24/10.1063/1.4770363
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Conventional unit cell of a spinel structure containing 24 cationic sites (8 tetrahedral and 16 octahedral sites) and 32 oxygen sites.

Image of FIG. 2.
FIG. 2.

(a) Structure of the spinel unit cell viewed from one of the 〈110〉 directions. (b) Cross-sectional HAADF-STEM image of the Mn-doped Ga2O3 film. The zone axis is . The cationic sub-lattice of the spinel structure is overlaid. (c) Intensity profile of the arrowed line in (b).

Image of FIG. 3.
FIG. 3.

(a) Relative DFT energy distribution for the TT, OO, and TO vacancy configurations. The bin width is 0.05 eV. (b) The structure with the lowest-energy configuration. The cation vacancies are located in the brown (dark gray) octahedrons. (c) Relative Madelung energy against the relative DFT energy for each vacancy configuration.

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/content/aip/journal/apl/101/24/10.1063/1.4770363
2012-12-11
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/24/10.1063/1.4770363
10.1063/1.4770363
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