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Register a new userTailoring the Phase Transition and Electron-Phonon Coupling in 1T-MoTe2 by Charge Doping: A Raman Study
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Transition metal dichalcogenides (TMDs) are a class of widely studied 2D layered materials which exist in various polymorphs. The 1T phase of MoTe2 is of prime importance as it has been reported to show quantum spin hall (QSH) behavior with a fairly large band-gap of ~ 60 meV, in contrast to most QSH materials known. It is noteworthy that though the monolayer 1T-MoTe2 was initially predicted to show the QSH behavior, recent theoretical studies claim that the few-layered counterparts also exhibit higher order topological behavior. Besides, 1T-MoTe2 also undergoes a hysteretic phase transition to the Td phase (which is a type-II Weyl semimetal) by breaking the inversion symmetry of the crystal. While the phase transition between these two topological phases is of utmost importance, its study has been mostly restricted to bulk single crystal flakes, thereby not sufficiently exploring the effect of dimensionality. We have studied the phase transition in 1T-MoTe2 as a function of flake-thickness. Though our Raman studies show a suppression of the phase transition in the thin (thickness <10 nm) flakes [similar to the report Phys. Rev. B 97, 041410 (2018)], we have experimentally demonstrated the possibility of stabilizing the desired phase (1T or Td) at room temperature by charge doping. Further, we have observed clear signatures of electron-phonon coupling in MoTe2, which evolves as a function of flake-thickness and charge doping.
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In condensed matter physics many features can be understood in terms of their topological properties. Here we report evidence of a topological quantum transition driven by the charge-phonon coupling in the spinless Haldane model on a honeycomb lattice, a well-known prototypical model of Chern insulator. Starting from parameters describing the topological phase in the bare Haldane model, we show that the increasing of the strength of the charge lattice coupling drives the system towards a trivial insulator. The average number of fermions in the Dirac point, characterized by the lowest gap, exhibits a finite discontinuity at the transition point and can be used as direct indicator of the topological quantum transition. Numerical simulations show, also, that the renormalized phonon propagator exhibits a two peak structure across the quantum transition, whereas, in absence of the mass term in the bare Hadane model, there is indication of a complete softening of the effective vibrational mode signaling a charge density wave instability.
The transition metal dichalcogenide (TMD) $1T$-TaS$_{2}$ exhibits a rich set of charge density wave (CDW) orders. Recent investigations suggested that using light or electric field can manipulate the commensurate (C) CDW ground state. Such manipulations are considered to be determined by the charge carrier doping. Here we simulate by first-principles calculations the carrier doping effect on CCDW in $1T$-TaS$_{2}$. We investigate the charge doping effects on the electronic structures and phonon instabilities of $1T$ structure and analyze the doping induced energy and distortion ratio variations in CCDW structure. We found that both in bulk and monolayer $1T$-TaS$_{2}$, CCDW is stable upon electron doping, while hole doping can significantly suppress the CCDW, implying different mechanisms of such reported manipulations. Light or positive perpendicular electric field induced hole doping increases the energy of CCDW, so that the system transforms to NCCDW or similar metastable state. On the other hand, even the CCDW distortion is more stable upon in-plain electric field induced electron injection, some accompanied effects can drive the system to cross over the energy barrier from CCDW to nearly commensurate (NC) CDW or similar metastable state. We also estimate that hole doping can introduce potential superconductivity with $T_{c}$ of $6sim7$ K. Controllable switching of different states such as CCDW/Mott insulating state, metallic state, and even the superconducting state can be realized in $1T$-TaS$_{2}$, which makes the novel material have very promising applications in the future electronic devices.
Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlations characteristic of narrow $d$ bands is at the origin of such remarkable properties as the Mott gap opening, enhanced effective mass, and anomalous vibronic coupling, to mention a few. SrVO$_3$, with V$^{4+}$ in a $3d^1$ electronic configuration is the simplest example of a 3D correlated metallic electronic system. Here, we focus on the observation of a (roughly) quadratic temperature dependence of the inverse electron mobility of this seemingly simple system, which is an intriguing property shared by other metallic oxides. The systematic analysis of electronic transport in SrVO$_3$ thin films discloses the limitations of the simplest picture of e-e correlations in a Fermi liquid; instead, we show that the quasi-2D topology of the Fermi surface and a strong electron-phonon coupling, contributing to dress carriers with a phonon cloud, play a pivotal role on the reported electron spectroscopic, optical, thermodynamic and transport data. The picture that emerges is not restricted to SrVO$_3$ but can be shared with other $3d$ and $4d$ metallic oxides.
Monolayer 2H-NbSe2 has recently been shown to be a 2-dimensional superconductor, with a coexisting charge-density wave (CDW). As both phenomena are intimately related to electron-lattice interaction, a natural question is how superconductivity and CDW are interrelated through electron-phonon coupling (EPC), which is important to the understanding of 2-dimensional superconductivity. This work investigates the superconductivity of monolayer NbSe2 in CDW phase using the anisotropic Migdal-Eliashberg formalism based on first principles calculations. The mechanism of the competition between and coexistence of the superconductivity and CDW is studied in detail by analyzing EPC. It is found that the intra-pocket scattering is related to superconductivity, leading to almost constant value of superconducting gaps on parts of the Fermi surface. The inter-pocket scattering is found to be responsible for CDW, leading to partial or full bandgap on the remaining Fermi surface. Recent experiment indicates that there is transitioning from regular superconductivity in thin-film NbSe2 to two-gap superconductivity in the bulk, which is shown here to have its origin in the extent of Fermi surface gapping of K and K pockets induced by CDW. Overall blue shifts of the phonons and sharp decrease of Eliashberg spectrum are found when the CDW forms.
Photo-induced phase transitions have been intensively studied owing to the ability to control a material of interest in the ultrafast manner, which can induce exotic phases unable to be attained at equilibrium. However, the key mechanisms are still under debate, and it has currently been a central issue how the couplings between the electron, lattice, and spin degrees of freedom are evolving during photo-induced phase transitions. Here, we develop a new analysis method, frequency-domain angle-resolved photoemission spectroscopy, to gain precise insight into electron-phonon couplings during photo-induced insulator-to-metal transitions for Ta$_2$NiSe$_5$. We demonstrate that multiple coherent phonons generated by displacive excitations show band-selective coupling to the electrons. Furthermore, we find that the lattice modulation corresponding to the 2 THz phonon mode, where Ta lattice is sheared along the a-axis, is the most relevant for the photo-induced semimetallic state.
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