Bulletin of the American Physical Society
APS March Meeting 2010
Volume 55, Number 2
Monday–Friday, March 15–19, 2010; Portland, Oregon
Session A24: Spintronic Materials
8:00 AM–11:00 AM,
Monday, March 15, 2010
Sponsoring Units: GMAG DMP
Chair: George Kioseoglou, University of Crete
Abstract ID: BAPS.2010.MAR.A24.12
Abstract: A24.00012 : GW study of the local field effect in half metallic CrAs*
10:12 AM–10:24 AM
Preview Abstract Abstract
We determined the semiconducting gap of zinc blende (ZB) CrAs within the GW approximation (GWA). This is the first GW calculation of a half-metal. Previous calculations using density functional theory within the generalized gradient approximation (GGA) determined a gap of 1.8 eV, but the GGA is known to give too small of a value for this quantity in semiconductors. Additionally, we studied the role of the local field effect in CrAs. Due to the simultaneous metallic and insulating properties of half metals, the screening in CrAs is weaker compared to insulating screening. Preliminary results suggest that half metallic screening increases the semiconducting gap as much as 0.54 eV from the fully insulating value of 1.92 eV.
*This research was supported in part by the National Science Foundation Grant No. ECCS-0725902 through TeraGrid resources provided by NCSA.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.A24.12
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