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.
Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn3Cr4O12: Study from first-principles
Rent:
Rent this article for
USD
10.1063/1.3610504
/content/aip/journal/jap/110/2/10.1063/1.3610504
http://aip.metastore.ingenta.com/content/aip/journal/jap/110/2/10.1063/1.3610504

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Crystal structure of LaMn3Cr4O12.

Image of FIG. 2.
FIG. 2.

FIG. 2. (Color online) Band structures for LaMn3Cr4O12 with (a) GGA and (b) GGA+U (UMn = 4.0 eV, UCr = 3.0 eV): left panel minority spin, right panel majority spin. The horizontal short dash line denotes the Fermi energy level. The middle panel is the total density of states (solid line) and density of states projected on Cr1-3d (short dash line), Cr2-3d (dash dot dot line), Mn1-3d (dot line), and Mn2-3d (dash dot line).

Image of FIG. 3.
FIG. 3.

(Color online) The orbital-decomposed density of states for LaMn3Cr4O12 with (a) GGA and (b) GGA+U (UMn = 4.0 eV, UCr = 3.0 eV). Mn_d’ indicates dz2, dx2-y2, dxz, and dyz orbitals. The vertical short dash line denotes the Fermi energy level.

Tables

Generic image for table
Table I.

Comparison between GGA optimized crystal structure parameters and those obtained through diffraction experiments.

Generic image for table
Table II.

Calculated total energy differences (relative to the GAFM/GAFM configuration) per formula unit (f.u.) and magnetic moments of Mn and Cr and the total magnetic moment per formula unit from GGA and GGA + U (UMn = 4.0 eV, UCr = 3.0 eV) results.

Loading

Article metrics loading...

/content/aip/journal/jap/110/2/10.1063/1.3610504
2011-07-28
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn3Cr4O12: Study from first-principles
http://aip.metastore.ingenta.com/content/aip/journal/jap/110/2/10.1063/1.3610504
10.1063/1.3610504
SEARCH_EXPAND_ITEM