Magnetic interaction with the gapless surface states in topological insulator (TI) has been predicted to give rise to a few exotic quantum phenomena. However, the effective magnetic doping of TI is still challenging in experiment. Using first-princip
les calculations, the magnetic doping properties (V, Cr, Mn and Fe) in three strong TIs (Bi$_{2}$Se$_{3}$, Bi$_{2}$Te$_{3}$ and Sb$_{2}$Te$_{3}$) are investigated. We find that for all three TIs the cation-site substitutional doping is most energetically favorable with anion-rich environment as the optimal growth condition. Further our results show that under the nominal doping concentration of 4%, Cr and Fe doped Bi$_{2}$Se$_{3}$, Bi$_{2}$Te$_{3}$, and Cr doped Sb$_{2}$Te$_{3}$ remain as insulator, while all TIs doped with V, Mn and Fe doped Sb$_{2}$Te$_{3}$ become metal. We also show that the magnetic interaction of Cr doped Bi$_{2}$Se$_{3}$ tends to be ferromagnetic, while Fe doped Bi$_{2}$Se$_{3}$ is likely to be antiferromagnetic. Finally, we estimate the magnetic coupling and the Curie temperature for the promising ferromagnetic insulator (Cr doped Bi$_{2}$Se$_{3}$) by Monte Carlo simulation. These findings may provide important guidance for the magnetism incorporation in TIs experimentally.
Topological insulators (TIs) and graphene present two unique classes of materials which are characterized by spin polarized (helical) and non-polarized Dirac-cone band structures, respectively. The importance of many-body interactions that renormaliz
e the linear bands near Dirac point in graphene has been well recognized and attracted much recent attention. However, renormalization of the helical Dirac point has not been observed in TIs. Here, we report the experimental observation of the renormalized quasi-particle spectrum with a skewed Dirac cone in a single Bi bilayer grown on Bi2Te3 substrate, from angle-resolved photoemission spectroscopy. First-principles band calculations indicate that the quasi-particle spectra are likely associated with the hybridization between the extrinsic substrate-induced Dirac states of Bi bilayer and the intrinsic surface Dirac states of Bi2Te3 film at close energy proximity. Without such hybridization, only single-particle Dirac spectra are observed in a single Bi bilayer grown on Bi2Se3, where the extrinsic Dirac states Bi bilayer and the intrinsic Dirac states of Bi2Se3 are well separated in energy. The possible origins of many-body interactions are discussed. Our findings provide a means to manipulate topological surface states.
Topological insulators (TIs) are a unique class of materials characterized by a surface (edge) Dirac cone state of helical Dirac fermions in the middle of bulk (surface) gap. When the thickness (width) of TIs is reduced, however, interaction between
the surface (edge) states will open a gap removing the Dirac cone. Using density function theory calculation, we demonstrate the creation of helical Dirac fermions from interfacing two gapped TI films, a single bilayer Bi grown on a single quintuple layer Bi2Se3 or Bi2Te3. The theoretical prediction is directly confirmed by experiment. We further show that the extrinsic helical Dirac fermions consists of predominantly Bi bilayer states, which are created by a giant Rashba effect due to interfacial charge transfer. Our findings provide a promising new method to create novel TI materials by interface engineering.
By first-principles calculations, we present a doping-dependent phase diagram of LaO{it M}As ({it M}=V--Cu) family. It is characterized as antiferromagnetic semiconductor around LaOMnAs side and ferromagnetic metal around LaOCoAs. Both LaOFeAs and La
ONiAs, where superconductivity were discovered, are located at the borderline of magnetic phases. Extensive Fermi surface analysis suggests that the observed superconductivity is of electron-type in its origin. We discuss possible pairing mechanisms in the context of competing ferromagnetic phases found in this work and the ferromagnetic spin fluctuations.
