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 characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3
Rent:
Rent this article for
USD
10.1063/1.3684832
/content/aip/journal/apl/100/6/10.1063/1.3684832
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/6/10.1063/1.3684832

Figures

Image of FIG. 1.
FIG. 1.

(Color online) 3 × 3 × 3 supercell employed to simulate N-doped STO and BTO. The O atoms in pink color labeled by 0-9 are the sites to be replaced with N atoms. The x-, y-, and z-axes are along the crystallographic a-, b-, and c-directions, respectively.

Image of FIG. 2.
FIG. 2.

(Color online) The total DOS and partial DOS plot for one-N-doped (a) STO and (b) BTO. The dotted line indicates the Fermi level at 0 eV.

Image of FIG. 3.
FIG. 3.

(Color online) Calculated spin density distribution of two-N-atom doped STO for (a) (0, 1) configuration and (b) (0, 4) configuration.

Tables

Generic image for table
Table I.

Calculated results for N-doped STO: the optimized distance (d N N ) (Å), the relative energies ΔE (eV), magnetic energy Emag  = EFM EAFM) (meV), the total magnetic moment (M) (μB /cell) under ferromagnetic alignment, and Curie temperature (TC ) (K) calculated for the (i,j) structure of the two-N-atom doped STO.

Generic image for table
Table II.

Calculated results for N-doped BTO.

Loading

Article metrics loading...

/content/aip/journal/apl/100/6/10.1063/1.3684832
2012-02-10
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/6/10.1063/1.3684832
10.1063/1.3684832
SEARCH_EXPAND_ITEM