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.
Intrinsic half-metallicity in hydrogenated boron-nitride nanoribbons
Rent:
Rent this article for
USD
10.1063/1.3693174
/content/aip/journal/apl/100/10/10.1063/1.3693174
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/10/10.1063/1.3693174

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Prospective view of optimized stirrup, boat, twist-boat, and chair conformations of hydrogenated BN sheet. Boron, nitrogen, and hydrogen atoms are represented with light grey, black, and white spheres, respectively.

Image of FIG. 2.
FIG. 2.

(Color online) Calculated band structures of hydrogenated BN nanoribbon with the width of (a) w = 24.95 Å and (b) w = 57.39 Å, respectively. The grey and black lines represent spin-up and spin-down components, respectively. The Fermi level is set to 0 eV and L = , where a = 2.60 Å. Insets: The corresponding spin density with isovalue of 0.05 au.

Image of FIG. 3.
FIG. 3.

(Color online) Calculated electronic density-of-states (DOS) for hydrogenated BN nanoribbon with the width of w = 24.95 Å (top panel) and w = 57.39 Å (second panel), respectively. The third and bottom panels show the corresponding DOS for the w = 24.95 Å ribbon with 0.13 V/Å and −0.13 V/Å electric bias, respectively. and components of the spin are indicated with black and grey, respectively.

Image of FIG. 4.
FIG. 4.

(Color online). Calculated spin density (isovalue of 0.05 au) for hydrogenated BN zigzag nanoribbons with (a) 0.13 V/Å, (b) no bias, and (c) 0.13 V/Å electric bias, respectively.

Tables

Generic image for table
Table I.

Calculated binding energy per BN unit (), the band gap (), using DFT and dispersion-corrected (dc) DFT for chair, stirrup, boat, and twist-boat conformations of hydrogenated BN, respectively.

Loading

Article metrics loading...

/content/aip/journal/apl/100/10/10.1063/1.3693174
2012-03-07
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Intrinsic half-metallicity in hydrogenated boron-nitride nanoribbons
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/10/10.1063/1.3693174
10.1063/1.3693174
SEARCH_EXPAND_ITEM