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We experimentally measure the band dispersions of topological Dirac semimetal Na3Bi using Fourier-transform scanning tunneling spectroscopy to image quasiparticle interference on the (001) surface of molecular-beam epitaxy-grown Na3Bi thin films. We find that the velocities for the lowest-lying conduction and valencebands are 1.6x10^6 m/s and 4.2x10^5 m/s respectively, significantly higher than previous theoreticalpredictions. We compare the experimental band dispersions to the theoretical band structures calculated usingan increasing hierarchy of approximations of self-energy corrections due to interactions: generalized gradientapproximation (GGA), meta-GGA, Heyd-Scuseria-Ernzerhof exchange-correlation functional (HSE06), and GW methods. We find that density functional theory methods generally underestimate the electron velocities. However, we find significantly improved agreement with an increasingly sophisticated description of the exchange and interaction potential, culminating in reasonable agreement with experiments obtained by the GW method. The results indicate that exchange-correlation effects are important in determining the electronicstructure of this Na3Bi, and are likely the origin of the high velocity. The electron velocity is consistent withrecent experiments on ultrathin Na3Bi and also may explain the ultrahigh carrier mobility observed in heavilyelectron-doped Na3Bi.
Three-dimensional (3D) topological Dirac semimetals (TDSs) represent a novel state of quantum matter that can be viewed as 3D graphene. In contrast to two-dimensional (2D) Dirac fermions in graphene or on the surface of 3D topological insulators, TDS
Three-dimensional (3D) topological Dirac semimetal, when thinned down to 2D few layers, is expected to possess gapped Dirac nodes via quantum confinement effect and concomitantly display the intriguing quantum spin Hall (QSH) insulator phase. However
Large-area thin films of topological Dirac semimetal Na$_3$Bi are grown on amorphous SiO$_2$:Si substrates to realise a field-effect transistor with the doped Si acting as back gate. As-grown films show charge carrier mobilities exceeding 7,000 cm$^2
In this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na3Bi using a time-dependent density functional theory framework, focusing on the effect of spin-orbit coupling (SOC) on
Ultrathin films of Na3Bi on insulating substrates are desired for opening a bulk band gap and generating the quantum spin Hall effect from a topological Dirac semimetal, though continuous films in the few nanometer regime have been difficult to reali