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Embedded clusters and magnetism in Cr-doped AlAs: A first-principles study
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10.1063/1.3533799
/content/aip/journal/apl/97/26/10.1063/1.3533799
http://aip.metastore.ingenta.com/content/aip/journal/apl/97/26/10.1063/1.3533799

Figures

Image of FIG. 1.
FIG. 1.

Presented are local structures of single-doping Cr:AlAs, (a) for , (b) for , (c) for , which has four As atoms in the nearest sites and six Al atoms in the next nearest sites, and (d) for , which has four Al atoms in the nearest sites and six As atoms in the next nearest sites.

Image of FIG. 2.
FIG. 2.

Formation energies as a function of the distance between two Cr atoms in doping configuration of Cr:AlAs, where the hollow and solid square shows that of the AFM and FM configuration, respectively.

Image of FIG. 3.
FIG. 3.

Spin-dependent total DOS and PDOSs of doped Cr:AlAs in its AFM phase, where (a) for 64-atom cell, (b) for 216-atom cell. From top to bottom it shows the DOS of Cr:AlAs, atom , , Al, and As, respectively, where the solid lines show the total DOSs, the dashed lines the PDOSs of , , , and states.

Tables

Generic image for table
Table I.

Formation energies in unit of eV, total magnetic moments (m) in unit of , and the ground state (GS) of various doping configurations of Cr:AlAs.

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/content/aip/journal/apl/97/26/10.1063/1.3533799
2010-12-30
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Embedded clusters and magnetism in Cr-doped AlAs: A first-principles study
http://aip.metastore.ingenta.com/content/aip/journal/apl/97/26/10.1063/1.3533799
10.1063/1.3533799
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