The unoccupied states in topological insulators Bi_2Se_3, PbSb_2Te_4, and Pb_2Bi_2Te_2S_3 are studied by the density functional theory methods. It is shown that a surface state with linear dispersion emerges in the inverted conduction band energy gap at the center of the surface Brillouin zone on the (0001) surface of these insulators. The alternative expression of Z_2 invariant allowed us to show that a necessary condition for the existence of the second Gamma Dirac cone is the presence of local gaps at the time reversal invariant momentum points of the bulk spectrum and change of parity in one of these points.
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 renormalize 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 crystalline insulators (TCIs) are insulating materials whose topological property relies on generic crystalline symmetries. Based on first-principles calculations, we study a three-dimensional (3D) crystal constructed by stacking two-dimensional TCI layers. Depending on the inter-layer interaction, the layered crystal can realize diverse 3D topological phases characterized by two mirror Chern numbers (MCNs) ($mu_1,mu_2$) defined on inequivalent mirror-invariant planes in the Brillouin zone. As an example, we demonstrate that new TCI phases can be realized in layered materials such as a PbSe (001) monolayer/h-BN heterostructure and can be tuned by mechanical strain. Our results shed light on the role of the MCNs on inequivalent mirror-symmetric planes in reciprocal space and open new possibilities for finding new topological materials.
The spin-momentum locking at the Dirac surface state of a topological insulator (TI) offers a distinct possibility of a highly efficient charge-to-spin current (C-S) conversion compared with spin Hall effects in conventional paramagnetic metals. For the development of TI-based spin current devices, it is essential to evaluate its conversion efficiency quantitatively as a function of the Fermi level EF position. Here we exemplify a coefficient of qICS to characterize the interface C-S conversion effect by using spin torque ferromagnetic resonance (ST-FMR) for (Bi1-xSbx)2Te3 thin films whose EF is tuned across the band gap. In bulk insulating conditions, interface C-S conversion effect via Dirac surface state is evaluated as nearly constant large values of qICS, reflecting that the qICS is inversely proportional to the Fermi velocity vF that is almost constant. However, when EF traverses through the Dirac point, the qICS is remarkably suppressed possibly due to the degeneracy of surface spins or instability of helical spin structure. These results demonstrate that the fine tuning of the EF in TI based heterostructures is critical to maximizing the efficiency using the spin-momentum locking mechanism.
We present a short pedagogical introduction to the physics of Dirac materials, restricted to graphene and two- dimensional topological insulators. We start with a brief reminder of the Dirac and Weyl equations in the particle physics context. Turning to condensed matter systems, semimetallic graphene and various Dirac insulators are introduced, including the Haldane and the Kane-Mele topological insulators. We also discuss briefly experimental realizations in materials with strong spin-orbit coupling.
Angle resolved photoemission spectroscopy (ARPES) studies were performed on two compounds (TlBiTe$_2$ and TlBiSe$_2$) from a recently proposed three dimensional topological insulator family in Thallium-based III-V-VI$_2$ ternary chalcogenides. For both materials, we show that the electronic band structures are in broad agreement with the $ab$ $initio$ calculations; by surveying over the entire surface Brillouin zone (BZ), we demonstrate that there is a single Dirac cone reside at the center of BZ, indicating its topological non-triviality. For TlBiSe$_2$, the observed Dirac point resides at the top of the bulk valance band, making it a large gap ($geq$200$meV$) topological insulator; while for TlBiTe$_2$, we found there exist a negative indirect gap between the bulk conduction band at $M$ point and the bulk valance band near $Gamma$, making it a semi-metal at proper doping. Interestingly, the unique band structures of TlBiTe$_2$ we observed further suggest TlBiTe$_2$ may be a candidate for topological superconductors.