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Register a new userBand bending at the surface of Bi$_2$Se$_3$ studied from first principles
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The band bending (BB) effect on the surface of the second-generation topological insulators implies a serious challenge to design transport devices. The BB is triggered by the effective electric field generated by charged impurities close to the surface and by the inhomogeneous charge distribution of the occupied surface states. Our self-consistent calculations in the Korringa-Kohn-Rostoker framework showed that in contrast to the bulk bands, the spectrum of the surface states is not bent at the surface. In turn, it is possible to tune the energy level of the Dirac point via the deposited surface dopants. In addition, the electrostatic modifications induced by the charged impurities on the surface induce long range oscillations in the charge density. For dopants located beneath the surface, however, these oscillations become highly suppressed. Our findings are in good agreement with recent experiments, however, our results indicate that the concentration of the surface doping cannot be estimated from the energy shift of the Dirac cone within the scope of the effective continuous model for the protected surface states.
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Shubnikov-de-Haas oscillations were studied under high magnetic field in Bi$_2$Se$_3$ nanostructures grown by Chemical Vapor Transport, for different bulk carrier densities ranging from $3times10^{19}text{cm}^{-3}$ to $6times10^{17}text{cm}^{-3}$. The contribution of topological surface states to electrical transport can be identified and separated from bulk carriers and massive two-dimensional electron gas. Band bending is investigated, and a crossover from upward to downward band bending is found at low bulk density, as a result of a competition between bulk and interface doping. These results highlight the need to control electrical doping both in the bulk and at interfaces in order to study only topological surface states.
We perform ab-initio calculations on Bi$_mathrm{{Se}}$ antisite defects in the surface of Bi$_2$Se$_3$, finding strong low-energy defect resonances with a spontaneous ferromagnetism, fixed to an out-of-plane orientation due to an exceptional large magnetic anisotropy energy. For antisite defects in the surface layer, we find semi-itinerant ferromagnetism and strong hybridization with the Dirac surface state, generating a finite energy gap. For deeper lying defects, such hybridization is largely absent, the magnetic moments becomes more localized, and no energy gap is present.
We present a theoretical study on the high-field charge transport on the surface of Bi$_2$Se$_3$ and reproduce all the main features of the recent experimental results, i.e., the incomplete current saturation and the finite residual conductance in the high applied field regime [Costache {it et al.}, Phys. Rev. Lett. {bf 112}, 086601 (2014)]. Due to the hot-electron effect, the conductance decreases and the current shows the tendency of the saturation with the increase of the applied electric field. Moreover, the electric field can excite carriers within the surface bands through interband precession and leads to a higher conductance. As a joint effect of the hot-electron transport and the carrier excitation, the conductance approaches a finite residual value in the high-field regime and the current saturation becomes incomplete. We thus demonstrate that, contrary to the conjecture in the literature, the observed transport phenomena can be understood qualitatively in the framework of surface transport alone. Furthermore, if a constant bulk conductance which is insensitive to the field is introduced, one can obtain a good quantitative agreement between the theoretical results and the experimental data.
We performed x-ray magnetic circular dichroism (XMCD) measurements on heterostructures comprising topological insulators (TIs) of the (Bi,Sb)$_2$(Se,Te)$_3$ family and the magnetic insulator EuS. XMCD measurements allow us to investigate element-selective magnetic proximity effects at the very TI/EuS interface. A systematic analysis reveals that there is neither significant induced magnetism within the TI nor an enhancement of the Eu magnetic moment at such interface. The induced magnetic moments in Bi, Sb, Te, and Se sites are lower than the estimated detection limit of the XMCD measurements of $sim!10^{-3}$ $mu_mathrm{B}$/at.
We study the fate of the surface states of Bi$_2$Se$_3$ under disorder with strength larger than the bulk gap, caused by neon sputtering and nonmagnetic adsorbates. We find that neon sputtering introduces strong but dilute defects, which can be modeled by a unitary impurity distribution, whereas adsorbates, such as water vapor or carbon monoxide, are best described by Gaussian disorder. Remarkably, these two disorder types have a dramatically different effect on the surface states. Our soft x-ray ARPES measurements combined with numerical simulations show that unitary surface disorder pushes the Dirac state to inward quintuplet layers, burying it below an insulating surface layer. As a consequence, the surface spectral function becomes weaker, but retains its quasiparticle peak. This is in contrast to Gaussian disorder, which smears out the quasiparticle peak completely. At the surface of Bi$_2$Se$_3$, the effects of Gaussian disorder can be reduced by removing surface adsorbates using neon sputtering, which, however, introduces unitary scatterers. Since unitary disorder has a weaker effect than Gaussian disorder, the ARPES signal of the Dirac surface state becomes sharper upon sputtering.
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