2003/01/29 by S. Mirbt, B. Sanyal, Biplab Sanyal +3 · 70 citations
Materials Science · Mathematics · Physics and Astronomy · #Condensed matter physics #Doping #Electronic structure #Geometry #Magnetic moment #Magnetic properties of thin films #Materials science #Mathematics #Moment (physics) #Perpendicular #Physics #Physics of Superconductivity and Magnetism #Plane (geometry) #ZnO doping and properties #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.67.155421
published in Physical review. B, Condensed matter 67(15) (American Physical Society) · 9 pages, 14 figures, submitted to PRB
arxiv created 2003/01/29 · openalex publication_date 2003/04/30 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We have calculated from first principles the electronic structure of 0.5-ML upto 5-ML-thick Fe layers on top of a GaAs(100) surface. We find the Fe magnetic moment to be determined by the Fe-As distance. As segregates to the top of the Fe film, whereas Ga most likely is found within the Fe film. Moreover, we find an asymmetric in-plane contraction of our unit cell along with an expansion perpendicular to the surface. We predict the number of Fe 3d holes to increase with increasing Fe thickness on p-doped GaAs.