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تسجيل مستخدم جديدProbing charge density wave phases and the Mott transition in $1T$-TaS$_2$ by inelastic light scattering
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We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in $1T$-TaS$_2$ single crystals, supported by textit{ab initio} calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows $mathrm{P3}$ symmetry of the system, thus excluding the previously proposed triclinic stacking of the star-of-David structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizeable electron-phonon coupling. Between 200 and 352,K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phase, indicating their coexistence in the so-called nearly-commensurate (NC-CDW) phase. The temperature-dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be $Omega_{rm gap}approx 170-190$ meV, and track its temperature dependence.
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1T-TaS$_2$ undergoes successive phase transitions upon cooling and eventually enters an insulating state of mysterious origin. Some consider this state to be a band insulator with interlayer stacking order, yet others attribute it to Mott physics tha
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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 manipulati
ons 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.
Tuning the electronic properties of a matter is of fundamental interest in scientific research as well as in applications. Recently, the Mott insulator-metal transition has been reported in a pristine layered transition metal dichalcogenides 1T-TaS$_
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