Different noncollinear magnetizations on two edges of zigzag graphene nanoribbons*

Based on density functional theory and non-equilibrium Green’s function method, we studied noncollinear magnetism and spin transport in a 180° domain wall made of zigzag graphene nanoribbon (ZGNR) with different noncollinear magnetic profiles on the top and bottom edges. Our results show that a helical domain wall on the top (bottom) edge and an abrupt domain wall on the bottom (top) edge can survive in the ZGNR. This indicates that such characteristic magnetization distribution can be obtained by some means, e.g., the introduction of impurity on one edge. Compared to a wide ZGNR, a narrow ZGNR presents obvious coupling between the two edges which changes the magnetization and transmission greatly. As for the above-mentioned distinct magnetic profile, the spin transport is blocked in the abrupt domain wall due to strong spin flip scattering while remains unaffected in the helical domain wall due to the spin mixing effect. We deduce a formula of the transmission for various magnetic profiles of the ZGNRs. A new result based on this formula is that the transmission at the Fermi level can be zero, one, and two by tuning the edge magnetization. Our results provide insights into the noncollinear spin transport of the ZGNR-based devices.