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Register a new userPrediction of High Temperature Quantum Anomalous Hall Effect in Two Dimensional Transition-Metal Oxides
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Quantum anomalous Hall (QAH) insulator is a topological phase which exhibits chiral edge states in the absence of magnetic field. The celebrated Haldane model is the first example of QAH effect, but difficult to realize. Here, we predict the two-dimensional single-atomic-layer V2O3 with a honeycomb-Kagome structure is a QAH insulator with a large band gap (large than 0.1 eV) and a high ferromagnetic Curie temperature (about 900 K). Combining the first-principle calculations with the effective Hamiltonian analysis, we find that the spin-majority dxy and dyz orbitals of V atoms on the honeycomb lattice form a massless Dirac cone near the Fermi level which becomes massive when the on-site spin-orbit coupling is included. Interestingly, we find that the large band gap is caused by a cooperative effect of electron correlation and spin-orbit coupling. Both first-principle calculations and the effective Hamiltonian analysis confirm that 2D V2O3 has a non-zero Chern number (i.e., one). Our work paves a new direction towards realizing the QAH effect at room temperature.
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Based on first-principles calculations, we have found a family of two-dimensional (2D) transition-metal chalcogenides MX$_5$ (M = Zr, Hf and X = S, Se and Te) can host quantum spin Hall (QSH) effect. The molecular dynamics (MD) simulation indicate that they are all thermal-dynamically stable at room temperature, the largest band gap is 0.19 eV. We have investigated the electronic and topological properties and they have very similar properties. For the single-layer ZrX$_5$, they are all gapless semimetals without consideration of spin-orbit coupling (SOC). The consideration of SOC will result in insulating phases with band gaps of 49.5 meV (direct), 0.18 eV (direct) and 0.13 eV (indirect) for ZrS$_5$, ZrSe$_5$ to ZrTe$_5$, respectively. The evolution of Wannier charge centers (WCC) and edge states confirm they are all QSH insulators. The mechanisms for QSH effect in ZrX$_5$ originate from the special nonsymmorphic space group features. In addition, the QSH state of ZrS$_5$ survives at a large range of strain as long as the interchain coupling is not strong enough to reverse the band ordering. The single-layer ZrS$_5$ will occur a TI-to-semimetal (metal) or metal-to-semimetal transition under certain strain. The realization of pure MX$_5$ monolayer should be readily obtained via mechanical exfoliation methods, thus holding great promise for nanoscale device applications and stimulating further efforts on transition metal (TM) based QSH materials.
We studied the nonlinear electric response in WTe2 and MoTe2 monolayers. When the inversion symmetry is breaking but the the time-reversal symmetry is preserved, a second-order Hall effect called the nonlinear anomalous Hall effect (NLAHE) emerges owing to the nonzero Berry curvature on the nonequilibrium Fermi surface. We reveal a strong NLAHE with a Hall-voltage that is quadratic with respect to the longitudinal current. The optimal current direction is normal to the mirror plane in these two-dimensional (2D) materials. The NLAHE can be sensitively tuned by an out-of-plane electric field, which induces a transition from a topological insulator to a normal insulator. Crossing the critical transition point, the magnitude of the NLAHE increases, and its sign is reversed. Our work paves the way to discover exotic nonlinear phenomena in inversion-symmetry-breaking 2D materials.
A circularly polarized a.c. pump field illuminated near resonance on two-dimensional transition metal dichalcogenides (TMDs) produces an anomalous Hall effect in response to a d.c. bias field. In this work, we develop a theory for this photo-induced anomalous Hall effect in undoped TMDs irradiated by a strong coherent laser field. The strong field renormalizes the equilibrium bands and opens up a dynamical energy gap where single-photon resonance occurs. The resulting photon dressed states, or Floquet states, are treated within the rotating wave approximation. A quantum kinetic equation approach is developed to study the non-equilibrium density matrix and time-averaged transport currents under the simultaneous influence of the strong a.c. pump field and the weak d.c. probe field. Dissipative effects are taken into account in the kinetic equation that captures relaxation and dephasing. The photo-induced longitudinal and Hall conductivities display notable resonant signatures when the pump field frequency reaches the spin-split interband transition energies. Rather than valley polarization, we find that the anomalous Hall current is mainly driven by the intraband response of photon-dressed electron populations near the dynamical gap at both valleys, accompanied by a smaller contribution due to interband coherences. These findings highlight the importance of photon-dressed bands and non-equilibrium distribution functions in achieving a proper understanding of photo-induced anomalous Hall effect in a strong pump field.
Recent years have witnessed tremendous success in the discovery of topological states of matter. Particularly, sophisticated theoretical methods in time-reversal-invariant topological phases have been developed, leading to the comprehensive search of crystal database and the prediction of thousands of new topological materials. In contrast, the discovery of magnetic topological phases that break time reversal is still limited to several exemplary materials because the coexistence of magnetism and topological electronic band structure is rare in a single compound. To overcome this challenge, we propose an alternative approach to realize the quantum anomalous Hall (QAH) effect, a typical example of magnetic topological phase, via engineering two-dimensional (2D) magnetic van der Waals heterojunctions. Instead of a single magnetic topological material, we search for the combinations of two 2D (typically trivial) magnetic insulator compounds with specific band alignment so that they can together form a type-III heterojunction with topologically non-trivial band structure. By combining the data-driven materials search, first principles calculations, and the symmetry-based analytical models, we identify 8 type-III heterojunctions consisting of 2D ferromagnetic insulator materials from a family of 2D monolayer MXY compounds (M = metal atoms, X = S, Se, Te, Y = F, Cl, Br, I) as a set of candidates for the QAH effect. In particular, we directly calculate the topological invariant (Chern number) and chiral edge states in the MnNF/MnNCl heterojunction with ferromagnetic stacking. This work illustrates how data-driven material science can be combined with symmetry-based physical principles to guide the search for novel heterojunction-based quantum materials hosting the QAH effect and other exotic quantum states in general.
Symmetry, dimensionality, and interaction are crucial ingredients for phase transitions and quantum states of matter. As a prominent example, the integer quantum Hall effect (QHE) represents a topological phase generally regarded as characteristic for two-dimensional (2D) electronic systems, and its many aspects can be understood without invoking electron-electron interaction. The intriguing possibility of generalizing QHE to three-dimensional (3D) systems was proposed decades ago, yet it remains elusive experimentally. Here, we report clear experimental evidence for the 3D QHE observed in bulk ZrTe5 crystals. Owing to the extremely high sample quality, the extreme quantum limit with only the lowest Landau level occupied can be achieved by an applied magnetic field as low as 1.5 T. Remarkably, in this regime, we observe a dissipationless longitudinal resistivity rho_xx=0 accompanied with a well-developed Hall resistivity plateau rho_xy=(1pm0.1) h/e^2 (lambda_(F,z)/2), where lambda_(F,z) is the Fermi wavelength along the field direction (z axis). This striking result strongly suggests a Fermi surface instability driven by the enhanced interaction effects in the extreme quantum limit. In addition, with further increasing magnetic field, both rho_xx and rho_xy increase dramatically and display an interesting metal-insulator transition, representing another magnetic field driven quantum phase transition. Our findings not only unambiguously reveal a novel quantum state of matter resulting from an intricate interplay among dimensionality, interaction, and symmetry breaking, but also provide a promising platform for further exploration of more exotic quantum phases and transitions in 3D systems.
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