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The transition metal dichalcogenide (TMD) $1T$-TaS$_{2}$ exhibits a rich setof charge density wave (CDW) orders. Recent investigations suggested that usinglight or electric field can manipulate the commensurate (C) CDW ground state.Such manipulations are considered to be determined by the charge carrierdoping. Here we simulate by first-principles calculations the carrier dopingeffect on CCDW in $1T$-TaS$_{2}$. We investigate the charge doping effects onthe electronic structures and phonon instabilities of $1T$ structure andanalyze the doping induced energy and distortion ratio variations in CCDWstructure. We found that both in bulk and monolayer $1T$-TaS$_{2}$, CCDW isstable upon electron doping, while hole doping can significantly suppress theCCDW, implying different mechanisms of such reported manipulations. Light orpositive perpendicular electric field induced hole doping increases the energyof CCDW, so that the system transforms to NCCDW or similar metastable state. Onthe other hand, even the CCDW distortion is more stable upon in-plain electricfield induced electron injection, some accompanied effects can drive the systemto cross over the energy barrier from CCDW to nearly commensurate (NC) CDW orsimilar metastable state. We also estimate that hole doping can introducepotential superconductivity with $T_{c}$ of $6\sim7$ K. Controllable switchingof different states such as CCDW/Mott insulating state, metallic state, andeven the superconducting state can be realized in $1T$-TaS$_{2}$, which makesthe novel material have very promising applications in the future electronicdevices.

Manipulating charge-density-wave in $1T$-TaS$_{2}$ by charge carrier doping: A first-principles investigation