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Bulk Signatures of Pressure-Induced Band Inversion and Topological Phase Transitions in Pb$_{1-x}$Sn$_x$Se

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 Added by Xiaoxiang Xi
 Publication date 2014
  fields Physics
and research's language is English




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The characteristics of topological insulators are manifested in both their surface and bulk properties, but the latter remain to be explored. Here we report bulk signatures of pressure-induced band inversion and topological phase transitions in Pb$_{1-x}$Sn$_x$Se ($x=$0.00, 0.15, and 0.23). The results of infrared measurements as a function of pressure indicate the closing and the reopening of the band gap as well as a maximum in the free carrier spectral weight. The enhanced density of states near the band gap in the topological phase give rise to a steep interband absorption edge. The change of density of states also yields a maximum in the pressure dependence of the Fermi level. Thus our conclusive results provide a consistent picture of pressure-induced topological phase transitions and highlight the bulk origin of the novel properties in topological insulators.



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The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface states of Pb{1-x}Sn{x}Se mixed crystals by means of angle-resolved photoelectron spectroscopy in the parameter space 0 <= x <= 0.37 and 300 K >= T >= 9 K. Using the surface-state observations, we monitor directly the topological phase transition in this solid solution and gain valuable information on the evolution of the underlying fundamental band gap of the system. In contrast to common model expectations, the band-gap evolution appears to be nonlinear as a function of the studied parameters, resulting in the measuring of a discontinuous band inversion process. This finding signifies that the anticipated gapless bulk state is in fact not a stable configuration and that the topological phase transition therefore exhibits features akin to a first-order transition.
Topological insulators are a novel class of quantum materials in which time-reversal symmetry, relativistic (spin-orbit) effects and an inverted band structure result in electronic metallic states on the surfaces of bulk crystals. These helical states exhibit a Dirac-like energy dispersion across the bulk bandgap, and they are topologically protected. Recent theoretical proposals have suggested the existence of topological crystalline insulators, a novel class of topological insulators in which crystalline symmetry replaces the role of time-reversal symmetry in topological protection [1,2]. In this study, we show that the narrow-gap semiconductor Pb(1-x)Sn(x)Se is a topological crystalline insulator for x=0.23. Temperature-dependent magnetotransport measurements and angle-resolved photoelectron spectroscopy demonstrate that the material undergoes a temperature-driven topological phase transition from a trivial insulator to a topological crystalline insulator. These experimental findings add a new class to the family of topological insulators. We expect these results to be the beginning of both a considerable body of additional research on topological crystalline insulators as well as detailed studies of topological phase transitions.
The picture of how a gap closes in a semiconductor has been radically transformed by topological concepts. Instead of the gap closing and immediately re-opening, topological arguments predict that, in the absence of inversion symmetry, a metallic phase protected by Weyl nodes persists over a finite interval of the tuning parameter (e.g. pressure $P$) . The gap re-appears when the Weyl nodes mutually annihilate. We report evidence that Pb$_{1-x}$Sn$_x$Te exhibits this topological metallic phase. Using pressure to tune the gap, we have tracked the nucleation of a Fermi surface droplet that rapidly grows in volume with $P$. In the metallic state we observe a large Berry curvature which dominates the Hall effect. Moreover, a giant negative magnetoresistance is observed in the insulating side of phase boundaries, in accord with emph{ab initio} calculations. The results confirm the existence of a topological metallic phase over a finite pressure interval.
Perovskite oxides ABO$_3$ containing heavy B-site elements are a class of candidate materials to host topological metals with a large spin-orbit interaction. In contrast to the band insulator BaSnO$_3$, the semimetal BaPbO$_3$ is proposed to be a typical example with an inverted band structure, the conduction band of which is composed of mainly the O-2p orbital. In this study, we exemplify a band-gap modification by systematic structural, optical, and transport measurements in BaSn$_{1-x}$Pb$_x$O$_3$ films. A sudden suppression of the conductivity and an enhancement of the weak antilocalization effect at $x$ = 0.9 indicate the presence of a singular point in the electronic structure as a signature of the band inversion. Our findings provide an intriguing platform for combining topological aspects and electron correlation in perovskite oxides based on band-gap engineering.
Bi$_2$Se$_3$, a layered three dimensional (3D) material, exhibits topological insulating properties due to presence of surface states and a band gap of 0.3 eV in the bulk. We study the effect hydrostatic pressure $P$ and doping with rare earth elements on the topological aspect of this material in bulk from a first principles perspective. Our study shows that under a moderate pressure of P$>$7.9 GPa, the bulk electronic properties show a transition from an insulating to a Weyl semi-metal state due to band inversion. This electronic topological transition may be correlated to a structural change from a layered van der Waals material to a 3D system observed at $P$=7.9 GPa. At large $P$ density of states have significant value at the Fermi-energy. Intercalating Gd with a small doping fraction between Bi$_2$Se$_3$ layers drives the system to a metallic anti-ferromagnetic state, with Weyl nodes below the Fermi-energy. At the Weyl nodes time reversal symmetry is broken due to finite local field induced by large magnetic moments on Gd atoms. However, substituting Bi with Gd induces anti-ferromagnetic order with an increased direct band gap. Our study provides novel approaches to tune topological transitions, particularly in capturing the elusive Weyl semimetal states, in 3D topological materials.
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