Origins of the structural phase transitions in MoTe${}_2$ and WTe${}_2$

Abstract

Layered transition metal dichalcogenides MoTe${}_2$ and WTe${}_2$ share almost similar lattice constants as well as topological electronic properties except their structural phase transitions. While the former shows a first-order phase transition between monoclinic and orthorhombic structures, the latter does not. Using a recently proposed van der Waals density functional method, we investigate structural stability of the two materials and uncover that the disparate phase transitions originate from delicate differences between their interlayer bonding states near the Fermi energy. By exploiting the relation between the structural phase transitions and the low energy electronic properties, we show that a charge doping can control the transition substantially, thereby suggesting a way to stabilize or to eliminate their topological electronic energy bands.

arXiv comment13 pages, 11 figures

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Cited by in corpus (41)

• Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides XTe${}_2$ (X=Mo,W)
• Berry curvature memory through electrically driven stacking transitions
• Layer-dependent spin-orbit torques generated by the centrosymmetric transition metal dichalcogenide $\beta$-MoTe${}_2$
• Light induced sub-picosecond topological phase transition in MoTe2
• Bulk Fermi-surface of the Weyl type-II semi-metallic candidate MoTe2
• Engineering Weyl phases and nonlinear Hall effects in T${}_d$-MoTe${}_2$
• Mode-resolved reciprocal space mapping of electron-phonon interaction in the Weyl semimetal candidate Td-WTe${}_2$
• Structural Phase Transition and Interlayer Coupling in Few-Layer 1T' and Td MoTe2
• Dimensionality-driven orthorhombic MoTe2 at room temperature
• Efficient First-Principles Approach with a Pseudohybrid Density Functional for Extended Hubbard Interactions
• Sub-picosecond photo-induced displacive phase transition in two-dimensional MoTe${}_2$
• Mechanical control of crystal symmetry and superconductivity in Weyl semimetal MoTe${}_2$
• Evidence of Coulomb interaction induced Lifshitz transition and robust hybrid Weyl semimetal in Td MoTe2
• Manipulating Weyl quasiparticles by orbital-selective photoexcitation in WTe2
• Tailoring the Phase Transition and Electron-Phonon Coupling in 1T'-MoTe2 by Charge Doping: A Raman Study
• Ultrafast dynamics of the low frequency shear mode in $1{\mathrm{T}}^{\prime }-\mathrm{MoT}{\mathrm{e}}_2$
• Resonant and Bound States of Charged Defects in Two-Dimensional Semiconductors
• T${}_d$ to 1T${}^{\prime }$ structural phase transition in WTe${}_2$ Weyl semimetal
• Symmetry dictated grain boundary state in a two-dimensional topological insulator
• In situ Imaging of an Anisotropic Layer-by-Layer Phase Transition in Few-Layer MoTe2
• Spin-resolved electronic response to the phase transition in MoTe${}_2$
• Origin of magnetoresistance suppression in thin $\gamma$-MoTe${}_2$
• Low-energy excitations in type-II Weyl semimetal Td-MoTe2 evidenced through optical conductivity
• Appearance of T${}_d^{\ast }$ phase across the T${}_d$-1T${}^{\prime }$ phase boundary in Weyl semimetal MoTe${}_2$
• Thickness dependent transition from the 1T${}^{\prime }$ to Weyl semimetal phase in ultrathin MoTe${}_2$: Electrical transport, Noise and Raman studies
• Two phase transitions driven by surface electron-doping in WTe${}_2$
• Barkhausen effect in the first order structural phase transition in type-II Weyl semimetal MoTe2
• Evolution of the structural transition in Mo${}_{1-x}$W${}_x$Te${}_2$
• Persistence of Monoclinic Crystal Structure in Three-Dimensional Second-Order Topological Insulator Candidate 1T'-MoTe2 Thin Flake without Structural Phase transition
• Emergence of topologically protected states in MoTe${}_2$ Weyl semimetal with layer stacking order
• Topological phase transition in MoTe${}_2$: A Review
• Reshaped Weyl fermionic dispersions driven by Coulomb interactions in MoTe2
• Electronic structure of molecular beam epitaxy grown 1T${}^{\prime }$-MoTe${}_2$ film and strain effect
• Terahertz control of surface topology probed with subatomic resolution
• Evidence of the ferroelectric polarization in charge transport through WTe${}_2$ Weyl semimetal surface
• Kinetic mechanism for reversible structural transition in MoTe2 induced by excess charge carriers
• A combined laser-based ARPES and 2PPES study of Td-WTe${}_2$
• Highly anisotropic Drude-weight-reduction and enhanced linear-dichroism in van der Waals Weyl semimetal Td-MoTe2 with coherent interlayer electronic transport
• Large change of interlayer vibrational coupling with stacking in Mo${}_{1-x}$W${}_x$Te${}_2$
• Temperature-driven Emergence of Negative Photoconductivity in Semimetal MoTe2 Film Probed with Terahertz Spectroscopy
• Transport properties of semimetallic transition metal dichalcogenides