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Nondecaying long range effect of surface decoration on the charge state of NV center in diamond
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10.1063/1.4775364
/content/aip/journal/jcp/138/3/10.1063/1.4775364
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/3/10.1063/1.4775364
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Atomic structures of (a) clean, (b) hydrogenated, (c) ether oxygenated, and (d) hydroxylated diamond (100) surfaces. (e) Slab model of the ether oxygenated diamond (100) surface. Numbers marked aside are indices of C–C bond layers. White, gray, and red balls denote hydrogen, carbon, and oxygen atoms, respectively.

Image of FIG. 2.
FIG. 2.

Electronic band structures for (a) NV0 and (b) NV centers in bulk diamond in the 3 ×3 ×3 supercell. The red solid and blue dotted lines represent spin-up and spin-down states, respectively.

Image of FIG. 3.
FIG. 3.

Formation energy E form for (a) NV0 and (b) NV centers in diamond with clean (C), hydrogenated (H), ether oxygenated (O), and hydroxylated (OH) surfaces. (c) Formation energy difference △E between NV0 and NV. E form of NV centers doped in bulk diamond is marked by horizontal dashed lines.

Image of FIG. 4.
FIG. 4.

(a) Electric potential jump produced by a surface electric dipole layer. (b) Band bending close to the surface due to a dipole layer.

Image of FIG. 5.
FIG. 5.

Electronic band structures for the NV centers in diamond with four different surfaces, NV0 in (a) C100_C_9, (b) C100_H_9, (c) C100_O_9, (d) C100_OH_9, and NV in (e) C100_C_9, (f) C100_H_9, (g) C100_O_9, (h) C100_OH_9. The red solid and blue dotted lines represent spin-up and spin-down states, respectively. The vacuum level is set to zero and the Fermi level is marked by green dotted lines.

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/content/aip/journal/jcp/138/3/10.1063/1.4775364
2013-01-15
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Nondecaying long range effect of surface decoration on the charge state of NV center in diamond
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/3/10.1063/1.4775364
10.1063/1.4775364
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