2004/09/16 by G. Vaitheeswaran, V. Kanchana, Anna Delin +1 · 4 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Condensed matter physics #Density functional theory #Electron #Electron magnetic dipole moment #Electronic structure #Ferromagnetism #Half-metal #Magnetic and transport properties of perovskites and related materials #Magnetic field #Magnetic moment #Magnetization #Moment (physics) #Multiferroics and related materials #Neutron magnetic moment #Nuclear magnetic moment #Physics #Quantum mechanics #Spin magnetic moment #Spin polarization #Spintronics #Spin–orbit interaction #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.1855418
3 Pages, 1 figure, 1 Table
arxiv created 2004/09/16 · openalex publication_date 2005/01/13 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The electronic structure of the spintronic material Sr2CrReO6 is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr2CrReO6 to be half-metallic with a magnetic moment of 1μB. When spin–orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28μB. This moment is significantly larger than the experimental moment of 0.9μB. A possible explanation of this discrepancy is that the anti-site disorder in Sr2CrReO6 is significantly larger than hitherto assumed.