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.
The electronic properties of point defects in earth-abundant photovoltaic material Zn3P2: A hybrid functional method study
Rent:
Rent this article for
USD
10.1063/1.4772708
/content/aip/journal/jap/113/1/10.1063/1.4772708
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/1/10.1063/1.4772708

Figures

Image of FIG. 1.
FIG. 1.

(a) The unit cell of Zn3P2 with large olivine atoms as Zn and small orange atoms as P. (b) Band structure of Zn3P2 calculated by HSE06 functional. (c) The Brillioun zone of the unit cell. (d) The total and partial density of states of crystalline Zn3P2.

Image of FIG. 2.
FIG. 2.

(a) The local atomic structure and the partial charge density of defect level of neutral Pi. (b) Simplified picture revealing the effects of P-P coupling. (c) The local atomic structure and the partial charge density of defect level of neutral VP. (d) Simplified picture revealing the mechanism of coupling among Zn atoms around VP. The energy levels in (c) and (d) are not scaled.

Image of FIG. 3.
FIG. 3.

Formation energies of intrinsic defects as function of Fermi level at (a) Zn-poor and (b) Zn-rich conditions. The Fermi level pinning positions are indicated by the dashed lines.

Image of FIG. 4.
FIG. 4.

Formation energies of extrinsic defects for p-type doping as function of Fermi level at (a) Zn-poor and (b) Zn-rich conditions. The potential compensation from intrinsic defect VZn and Zni is also shown. The positions of Fermi level pinning are indicated by dashed lines.

Image of FIG. 5.
FIG. 5.

Formation energies of extrinsic defects for n-type doping as function of Fermi level at (a) Zn-poor and (b) Zn-rich conditions. The potential compensation from intrinsic defect VZn and Zni is also shown. The positions of Fermi level pinning are indicated by dashed lines.

Tables

Generic image for table
Table I.

The HSE06 calculated ionization energies of typical intrinsic and extrinsic defects of Zn3P2 (Unit: eV).

Loading

Article metrics loading...

/content/aip/journal/jap/113/1/10.1063/1.4772708
2013-01-03
2014-04-17
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The electronic properties of point defects in earth-abundant photovoltaic material Zn3P2: A hybrid functional method study
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/1/10.1063/1.4772708
10.1063/1.4772708
SEARCH_EXPAND_ITEM