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Atomic and electronic structure of the interface from first principles
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10.1063/1.2360189
/content/aip/journal/apl/89/14/10.1063/1.2360189
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/14/10.1063/1.2360189

Figures

Image of FIG. 1.
FIG. 1.

Top view of the atomic structure at the (001) interface. The gray circles represent O atoms at the interface MgO layer and the black circles represent the Mg atoms. The larger unfilled circles represent the interfacial transition metal atomic layer (either Fe or Co) above the O atoms. The square indicates the interstitial position occupied by B in the transition metal atomic layer. The arrows indicate the orientation of the two materials.

Image of FIG. 2.
FIG. 2.

LPPD (see text) for the majority state with symmetry at the Fermi energy for the Co terminated interface. The empty circles are for the clean interface and the filled circles are for the interface with B coverage.

Tables

Generic image for table
Table I.

Total binding energy (in eV) and its two contributions for the interface and bulk positions of B.

Generic image for table
Table II.

Work of separation (in eV per interface transition metal atom) for clean and “boronized” interfaces.

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/content/aip/journal/apl/89/14/10.1063/1.2360189
2006-10-05
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Atomic and electronic structure of the CoFeB∕MgO interface from first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/14/10.1063/1.2360189
10.1063/1.2360189
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