1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
First-principles prediction of the negatively-charged nitrogen-silicon-vacancy center in cubic silicon carbide
Rent:
Rent this article for
USD
10.1063/1.3471813
/content/aip/journal/jap/108/4/10.1063/1.3471813
http://aip.metastore.ingenta.com/content/aip/journal/jap/108/4/10.1063/1.3471813
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) The structure of center in 3C–SiC; only first-neighbor C (yellow spheres), second-neighbor Si atoms, and N (blue spheres) atom to the vacant site are shown in the right panel. (b) The isosurfaces of spin density , viewing along the [010] and [111] directions.

Image of FIG. 2.
FIG. 2.

The formation energy of nitrogen-silicon vacancy complexes at different charge states as a function of Fermi level . represents the center with a C atom neighboring the being substituted by a N atoms, where denotes the defect complex with the substitutional N impurity being placed as far away from the as possible.

Image of FIG. 3.
FIG. 3.

(a) The spin-polarized energy band structure for the center in 3C–SiC for a (left panel) and (right panel) supercell (red and blue lines represent up-spin and down-spin, respectively). The energy at Fermi level was set to zero. The representative points in BZ are , F (0,1/2,0), Q (0,1/2,1/2), and Z (0,0,1/2), respectively. (b) The isosurfaces of the and electron orbitals.

Image of FIG. 4.
FIG. 4.

(a) Schematic diagram of the defect states in the gap and their occupations in the (ground) and (excited) states. (b) The schematic exchange mechanism of AFM coupling between centers. The dashed arrow indicates virtual hopping.

Loading

Article metrics loading...

/content/aip/journal/jap/108/4/10.1063/1.3471813
2010-08-26
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles prediction of the negatively-charged nitrogen-silicon-vacancy center in cubic silicon carbide
http://aip.metastore.ingenta.com/content/aip/journal/jap/108/4/10.1063/1.3471813
10.1063/1.3471813
SEARCH_EXPAND_ITEM