Manipulating charge-density-wave in monolayer $1T$-TiSe${}_2$ by strain and charge doping: A first-principles investigation

Abstract

We investigate the effects of the in-plane biaxial strain and charge doping on the charge density wave (CDW) order of monolayer $1T$-TiSe${}_2$ by using the first-principles calculations. Our results show that the tensile strain can significantly enhance the CDW order, while both compressive strain and charge doping (electrons and holes) suppress the CDW instability. The tensile strain may provide an effective method for obtaining higher CDW transition temperature on the basis of monolayer $1T$-TiSe${}_2$. We also discuss the potential superconductivity in charge-doped monolayer $1T$-TiSe${}_2$. Controllable electronic phase transition from CDW state to metallic state or even superconducting state can be realized in monolayer $1T$-TiSe${}_2$, which makes $1T$-TiSe${}_2$ possess a promising application in controllable switching electronic devices based on CDW.

6 pages, 7 figures

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• Electron correlations rule the phonon-driven instability in single layer TiSe${}_2$
• Possible Lattice and Charge Order in CuxBi2Te2Se
• Interlayer excitonic insulator in two-dimensional double-layer semiconductor junctions: An explicitly solvable model
• Charge-density-wave control by adatom manipulation and its effect on magnetic nanostructures
• Doping-induced nematic and stripe orders within the charge density wave state of TiSe${}_2$
• Toward nonthermal control of excited quantum materials: framework and investigations by ultrafast electron scattering and imaging
• Effect of strain on charge density wave order in α-U