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Prediction of Topological Crystalline Insulator and Topological Phase Transitions in Two-dimensional PbTe Films

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 Added by Changwen Zhang
 Publication date 2017
  fields Physics
and research's language is English




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Topological phases, especially topological crystalline insulators (TCIs), have been intensively explored observed experimentally in three-dimensional (3D) materials. However, the two-dimensional (2D) films are explored much less than 3D TCI, and even 2D topological insulators. Based on ab initio calculations, here we investigate the electronic and topological properties of 2D PbTe(001) few-layers. The monolayer and trilayer PbTe are both intrinsic 2D TCIs with a large band gap reaching 0.27 eV, indicating a high possibility for room-temperature observation of quantized conductance. The origin of TCI phase can be attributed to the p band inversion,which is determined by the competitions of orbital hybridization and quantum confinement. We also observe a semimetal-TCI-normal insulator transition under biaxial strains, whereas a uniaxial strains lead to Z2 nontrivial states. Especially, the TCI phase of PbTe monolayer remains when epitaxial grow on NaI semiconductor substrate. Our findings on the controllable quantum states with sizable band gaps present an ideal platform for realizing future topological quantum devices with ultralow dissipation.



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A Z2 topological insulator protected by time-reversal symmetry is realized via spin-orbit interaction driven band inversion. For example, the topological phase in the Bi-Sb system is due to an odd number of band
Topological materials are derived from the interplay between symmetry and topology. Advances in topological band theories have led to the prediction that the antiperovskite oxide Sr$_3$SnO is a topological crystalline insulator, a new electronic phase of matter where the conductivity in its (001) crystallographic planes is protected by crystallographic point group symmetries. Realization of this material, however, is challenging. Guided by thermodynamic calculations we design and implement a deposition approach to achieve the adsorption-controlled growth of epitaxial Sr$_3$SnO single-crystal films by molecular-beam epitaxy (MBE). In-situ transport and angle-resolved photoemission spectroscopy measurements reveal the metallic and non-trivial topological nature of the as-grown samples. Compared with conventional MBE, the synthesis route used results in superior sample quality and is readily adapted to other topological systems with antiperovskite structures. The successful realization of thin films of topological crystalline insulators opens opportunities to manipulate topological states by tuning symmetries via epitaxial strain and heterostructuring.
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176 - Huinan Xia , Yang Li , Min Cai 2018
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, the 3D-to-2D crossover and the associated topological phase transition, which is valuable for understanding the topological quantum phases, remain unexplored. Here, we synthesize high-quality Na3Bi thin films with R3*R3 reconstruction on graphene, and systematically characterize their thickness-dependent electronic and topological properties by scanning tunneling microscopy/spectroscopy in combination with first-principles calculations. We demonstrate that Dirac gaps emerge in Na3Bi films, providing spectroscopic evidences of dimensional crossover from a 3D semimetal to a 2D topological insulator. Importantly, the Dirac gaps are revealed to be of sizable magnitudes on 3 and 4 monolayers (72 and 65 meV, respectively) with topologically nontrivial edge states. Moreover, the Fermi energy of a Na3Bi film can be tuned via certain growth process, thus offering a viable way for achieving charge neutrality in transport. The feasibility of controlling Dirac gap opening and charge neutrality enables realizing intrinsic high-temperature QSH effect in Na3Bi films and achieving potential applications in topological devices.
Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivial band-structure topology identified by the $Z_2$ number as protected by time-reversal symmetry (TRS). 2D TIs have intriguing spin-velocity locked conducting edge states and insulating properties in the bulk. In the edge states, the electrons with opposite spins propagate in opposite directions and the backscattering is fully prohibited when the TRS is conserved. This leads to quantized dissipationless two-lane highway for charge and spin transportation and promises potential applications. Up to now, only very few 2D systems have been discovered to possess this property. The lack of suitable material obstructs the further study and application. Here, by using first-principles calculations, we propose that the functionalized MXene with oxygen, M$_2$CO$_2$ (M=W, Mo and Cr), are 2D TIs with the largest gap of 0.194 eV in W case. They are dynamically stable and natively antioxidant. Most importantly, they are very likely to be easily synthesized by recent developed selective chemical etching of transition-metal carbides (MAX phase). This will pave the way to tremendous applications of 2D TIs, such as ideal conducting wire, multifunctional spintronic device, and the realization of topological superconductivity and Majorana modes for quantum computing.
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