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Ferromagnetic properties, electronic structure, and formation energy of (, Ca) by first principles study
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10.1063/1.2970158
/content/aip/journal/jap/104/4/10.1063/1.2970158
http://aip.metastore.ingenta.com/content/aip/journal/jap/104/4/10.1063/1.2970158

Figures

Image of FIG. 1.
FIG. 1.

The DOS for the one Ga vacancies in 32-atom GaN supercell is shown in (a). (b) and (c) show the DOS equivalent and nonequivalent N atom around the vacancies, respectively. Positive (negative) values correspond to the up (down) spin. The Fermi level is set to 0 eV.

Image of FIG. 2.
FIG. 2.

The total DOS for the Ca-doped GaN with doped concentration 6.25% is shown in (a). (b) shows the partial DOS of state for the doped Ca atom, and (c) and (d) show the DOS for the equivalent and nonequivalent N atom around the doped Ca atom, respectively. The positive (negative) channel represents the up (down) spin, respectively. The Fermi level is set to 0 eV.

Image of FIG. 3.
FIG. 3.

The defect concentration vs growth temperature for Ga doped GaN under different growth conditions (▽ for under N-rich growth condition that corresponds to the right defect concentration and ▼ for under N-realistic growth condition that corresponds to the left defect concentration) are shown, respectively.

Tables

Generic image for table
Table I.

The formation energies (eV/supercell) for the four doped configurations under N-rich condition and Ga-rich condition are listed as following.

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/content/aip/journal/jap/104/4/10.1063/1.2970158
2008-08-25
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ferromagnetic properties, electronic structure, and formation energy of Ga0.9375M0.0625N (M=vacancy, Ca) by first principles study
http://aip.metastore.ingenta.com/content/aip/journal/jap/104/4/10.1063/1.2970158
10.1063/1.2970158
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