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.
Structure, magnetic, and electronic properties of hydrogenated two-dimensional diamond films
Rent:
Rent this article for
USD
10.1063/1.4793204
/content/aip/journal/apl/102/7/10.1063/1.4793204
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/7/10.1063/1.4793204
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Side views of the optimized geometric structures of SH and FH 2D (111)-oriented diamond films. (a) FH of 3-layer diamond film. (b)–(d) SH of 3-, 4-, and 7-layer diamond films, respectively. The carbon atoms are shown in blue and the hydrogen atoms in white, and the corresponding interlayer C–C bond lengths (in Å) are labeled.

Image of FIG. 2.
FIG. 2.

Formation energy (FE) as a function of layer number n for the optimized geometric SH and FH 2D diamond films. The lines are the guide for eyes.

Image of FIG. 3.
FIG. 3.

PDOSs and spin density pictures of the calculated FH and SH 2D diamond films. All-layer and layer-by-layer PDOSs for the cases of FH diamond with layer number of n = 3 (a) and SH diamond with n = 3 (b) and n = 6 (c). Layer-by-layer PDOSs (i = 1 to n) are taken from the outmost layer on one side to the opposite side in turn. In (a), the black lines are the total DOS and the red (blue) lines are the PDOS of p (s)-orbital electrons. In (b) and (c), the red (green) and black (blue) lines are corresponding PDOS of p (s)-orbital electrons with spin-up and spin-down, respectively. The Fermi level is set to 0 eV. The intensities of the total and partial DOS are normalized. The pictures of spin density for the cases of FH diamond film with n = 3 (a′) and SH diamonds with n = 3 (b′) and n = 6 (c′) labeled with the corresponding magnetic moments around the atoms.

Image of FIG. 4.
FIG. 4.

Electronic properties of the calculated FH 2D diamond films dependent on layer number n. (a) The band structure for the case of n = 3. The Fermi level is set to 0 eV. (b) Bandgap as a function of n. The solid line in (b) represents the fitted curve.

Image of FIG. 5.
FIG. 5.

Electronic properties of the calculated SH 2D diamond films dependent on layer number n. (a)–(c) The band structures of n = 2, 4, and 7 in turn. The blue (red) lines are the spin up (down) channels. The Fermi level is set to 0 eV. (d) Bandgap as a function of n. The solid line in (d) represents the fitted curve.

Loading

Article metrics loading...

/content/aip/journal/apl/102/7/10.1063/1.4793204
2013-02-22
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structure, magnetic, and electronic properties of hydrogenated two-dimensional diamond films
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/7/10.1063/1.4793204
10.1063/1.4793204
SEARCH_EXPAND_ITEM