Engineering Weyl phases and nonlinear Hall effects in T${}_d$-MoTe${}_2$

Abstract

MoTe${}_2$ has recently attracted much attention due to the observation of pressure-induced superconductivity, exotic topological phase transitions, and nonlinear quantum effects. However, there has been debate on the intriguing structural phase transitions among various observed phases of MoTe${}_2$, and their connection to the underlying topological electronic properties. In this work, by means of density-functional theory (DFT+U) calculations, we investigate the structural phase transition between the polar T${}_d$ and nonpolar 1T${}^{\prime }$ phases of MoTe${}_2$ in reference to a hypothetical high-symmetry T${}_0$ phase that exhibits higher-order topological features. In the T${}_d$ phase we obtain a total of 12 Weyl points, which can be created/annihilated, dynamically manipulated, and switched by tuning a polar phonon mode. We also report the existence of a tunable nonlinear Hall effect in T${}_d$-MoTe${}_2$, and propose the use of this effect as a probe for the detection of polarity orientation in polar (semi)metals. By studying the role of dimensionality, we identify a configuration in which a nonlinear surface response current emerges. The potential technological applications of the tunable Weyl phase and the nonlinear Hall effect are discussed.

References in corpus (47)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• WannierTools: An open-source software package for novel topological materials
• Type-II Weyl Semimetals
• Excitons in atomically thin transition metal dichalcogenides
• Quantum Spin Hall Effect and Topological Field Effect Transistor in Two-Dimensional Transition Metal Dichalcogenides
• Quantum nonlinear Hall effect induced by Berry curvature dipole in time-reversal invariant materials
• The (High Quality) Topological Materials In The World
• Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2
• Superconductivity in Weyl Semimetal Candidate MoTe2
• Observation of the nonlinear Hall effect under time reversal symmetric conditions
• Prediction of the Weyl semimetal in the orthorhombic MoTe2
• Spectroscopic evidence for type II Weyl semimetal state in MoTe2
• MoTe2: A Type-II Weyl Topological Metal
• Electrically switchable Berry curvature dipole in the monolayer topological insulator WTe2
• PyProcar: A Python library for electronic structure pre/post-processing
• Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides XTe${}_2$ (X=Mo,W)
• Disorder-induced nonlinear Hall effect with time-reversal symmetry
• Fermi arcs and their topological character in the candidate type-II Weyl semimetal MoTe2
• The Berry curvature dipole in Weyl semimetal materials: an ab initio study
• Band signatures for strong nonlinear Hall effect in bilayer WTe${}_2$
• Efficient Topological Materials Discovery Using Symmetry Indicators
• Strongly enhanced Berry dipole at topological phase transitions in BiTeI
• Raman signatures of inversion symmetry breaking and structural phase transition in type-II Weyl semimetal MoTe2
• Electrically tuneable nonlinear anomalous Hall effect in two-dimensional transition-metal dichalcogenides WTe2 and MoTe2
• The extremely large magnetoresistance in the Candidate Type-II Weyl semimetal MoTe2
• Activation of new Raman modes by inversion symmetry breaking in type II Weyl semimetal candidate T'-MoTe2
• Origins of the structural phase transitions in MoTe${}_2$ and WTe${}_2$
• Nonlinear Hall Acceleration and the Quantum Rectification Sum Rule
• Intrinsic Spin Hall Conductivity of MoTe2 and WTe2 Semimetals
• Light induced sub-picosecond topological phase transition in MoTe2
• Bulk Fermi-surface of the Weyl type-II semi-metallic candidate MoTe2
• Anticorrelation between polar lattice instability and superconductivity in the Weyl semimetal candidate MoTe2
• Polar and phase domain walls with conducting interfacial states in a Weyl semimetal MoTe2
• Dimensionality-driven orthorhombic MoTe2 at room temperature
• MoTe2 : An uncompensated semimetal with extremely large magnetoresistance
• Mechanical control of crystal symmetry and superconductivity in Weyl semimetal MoTe${}_2$
• Simple model for second-order topological insulators and loop-nodal semimetals in Transition Metal Dichalcogenides XTe${}_2$ (X=Mo,W)
• Evidence of Coulomb interaction induced Lifshitz transition and robust hybrid Weyl semimetal in Td MoTe2
• Optical evidence of type-II Weyl semimetals MoTe${}_2$ and WTe${}_2$
• Enhanced ultrafast relaxation rate in the Weyl semimetal phase of $\mathbf{MoT}{\mathbf{e}}_2$ measured by time-and angle-resolved photoelectron spectroscopy
• The origin of the turn-on phenomenon in Td-MoTe2
• Temperature-induced inversion of the spin-photogalvanic effect in WTe${}_2$ and MoTe${}_2$
• Spin-resolved electronic response to the phase transition in MoTe${}_2$
• Importance of electron correlations in understanding the photo-electron spectroscopy and the Weyl character of MoTe${}_2$
• Topological phase transition between distinctWeyl semimetal states in MoTe2
• Appearance of T${}_d^{\ast }$ phase across the T${}_d$-1T${}^{\prime }$ phase boundary in Weyl semimetal MoTe${}_2$

Cited by in corpus (43)

• Nonlinear Hall Effects
• MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials
• Quantum theory of the nonlinear Hall effect
• Nonlinear Hall effect with time-reversal symmetry: Theory and material realizations
• Canted Spin Texture and Quantum Spin Hall Effect in WTe2
• Structural Phase Transition and Interlayer Coupling in Few-Layer 1T' and Td MoTe2
• Designing spin and orbital sources of Berry curvature at oxide interfaces
• Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI${}_2$
• Tunable room temperature nonlinear Hall effect from the surfaces of elementary bismuth thin films
• Non-linear Hall Effects: Mechanisms and Materials
• Gate-Tunable Berry Curvature Dipole Polarizability in Dirac Semimetal Cd3As2
• Low-symmetry topological materials for large charge-to-spin interconversion: The case of transition metal dichalcogenide monolayers
• Scaling Law for Time-Reversal-Odd Nonlinear Transport
• Electrically switchable giant Berry curvature dipole in silicene, germanene and stanene
• Orbital design of Berry curvature: pinch points and giant dipoles induced by crystal fields
• Quantum kinetics of anomalous and nonlinear Hall effects in topological semimetals
• Chirality flip of Weyl nodes and its manifestation in strained MoTe${}_2$
• Nonlinear Landauer formula: Nonlinear response theory of disordered and topological materials
• Extrinsic and Intrinsic Nonlinear Hall Effects across Berry-Dipole Transitions
• Non-Linear Hall Effect in Multi-Weyl Semimetals
• Gate-dependent non-linear Hall effect at room temperature in topological semimetal GeTe
• Tunable Topology and Berry Curvature Dipole in Transition Metal Dichalcogenide Janus Monolayers
• Topological Properties of Bulk and Bilayer 2M WS${}_2$: A First-Principles Study
• Pressure-induced creation and annihilation of Weyl points in Td- and 1T"-Mo0.5W0.5Te2
• Nonlinear Hall effect in two-dimensional class AI metals
• Nonlinear phonon Hall effects in ferroelectrics: its existence and non-volatile electrical control
• Reshaped Weyl fermionic dispersions driven by Coulomb interactions in MoTe2
• Nonlinear Hall effect in Rashba systems with hexagonal warping
• Intrinsic nonlinear Hall effect in two-dimensional honeycomb topological antiferromagnets
• Kagome KMn${}_3$Sb${}_5$ metal: Magnetism, lattice dynamics, and anomalous Hall conductivity
• Second-harmonic response as a tool to detect spin textures in magnetic nodal-line semimetal Fe${}_3$GeTe${}_2$
• Quantum Geometric Origin of the Intrinsic Nonlinear Hall Effect
• Stability of Weyl node merging processes under symmetry constraints
• The "Sign problem" of the 3rd order anomalous Hall effect in topological magnetic materials
• Nonlinear magnetotransport in MoTe${}_2$
• Chirality-tunable non-linear Hall effect
• Spin susceptibilities in magnetic type-I and type-II Weyl semimetals
• Large change of interlayer vibrational coupling with stacking in Mo${}_{1-x}$W${}_x$Te${}_2$
• Giant Nonlinear Hall Effect in Twisted Bilayer WTe2
• Orbital magnetization as the origin of the nonlinear Hall effect
• Nonlinear Hall Effects induced by Berry Curvature Dipole in CuPb${}_9$(PO${}_4$)${}_6$O
• Engineering stacking-induced topological phase transitions in bilayer heterostructures
• Resonant Nonlinear Hall Effect in Two-Dimensional Electron Systems