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 generalized gradient approximation + U study of cubic CuAl2O4
Rent:
Rent this article for
USD
10.1063/1.3630131
/content/aip/journal/apl/99/9/10.1063/1.3630131
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/9/10.1063/1.3630131
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) The DOS at six selective values of U within GGA +U formalisms.

Image of FIG. 2.
FIG. 2.

(Color online) The DOS of cubic CuAl2O4 projected onto the Cu 3d and O 2p orbitals, cubic field splitting for Cu2+ ion in local symmetry with 10.0 eV > U > 7.5 eV and spin moments for Cu, Al, O atoms, and CuAl2O4 from U = 0–12.5 eV.

Image of FIG. 3.
FIG. 3.

(Color online) Calculated elastic constants (Cij), bulk modulus (B), shear modulus (G), Young’s modulus (E) and total energy for cubic CuAl2O4 from U = 0–12.5 eV.

Image of FIG. 4.
FIG. 4.

(Color online) The real () and imaginary () parts of the dielectric function () and refractive index (n) for cubic CuAl2O4 from U = 0–12.5 eV.

Loading

Article metrics loading...

/content/aip/journal/apl/99/9/10.1063/1.3630131
2011-08-29
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles generalized gradient approximation + U study of cubic CuAl2O4
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/9/10.1063/1.3630131
10.1063/1.3630131
SEARCH_EXPAND_ITEM