2008/04/24 by N. Sanchez, Nadiezhda Sánchez, S. Gallego +3
Materials Science · Physics and Astronomy · #Condensed matter physics #Doping #Electron #Electronic and Structural Properties of Oxides #Ferromagnetism #Ion #Magnetic and transport properties of perovskites and related materials #Magnetic moment #Magnetic semiconductor #Materials science #Oxygen #Physics #Spin polarization #Surface (topology) #Surface states #Valence (chemistry) #ZnO doping and properties #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevlett.101.067206
arxiv created 2008/04/24 · openalex publication_date 2008/08/08 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
First principles calculations of the O surfaces of Co-ZnO show that substitutional Co ions develop large magnetic moments which long-range order depends on their mutual distance. The local spin polarization induced at the O atoms is 3 times larger at the surface than in the bulk, and the surface stability is considerably reinforced by Co. Moreover, a robust ferromagnetic state is predicted at the O (0001) surface even in the absence of magnetic atoms, correlated with the number of p holes in the valence band of the oxide, and with a highly anisotropic distribution of the magnetic charge even in the absence of spin-orbit coupling.