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.

arXiv comment6 pages, 7 figures

References in corpus (21)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Two and one-dimensional honeycomb structures of silicon and germanium
• Monolayer honeycomb structures of group IV elements and III-V binary compounds
• Superconductivity of metallic boron in MgB_2
• Strongly enhanced charge-density-wave order in monolayer NbSe${}_2$
• Gate-tunable Phase Transitions in 1T-TaS${}_2$
• Controlling many-body states by the electric-field effect in a two-dimensional material
• Structure and Control of Charge Density Waves in Two-Dimensional 1T-TaS2
• Fast non-thermal switching between macroscopic charge-ordered quantum states induced by charge injection
• Non-thermal separation of electronic and structural orders in a persisting charge density wave
• Charge density wave and superconducting dome in TiSe2 from electron-phonon interaction
• Pristine and intercalated transition metal dichalcogenide superconductors
• Nodeless pairing in superconducting copper-oxide monolayer films on Bi2Sr2CaCu2O8+δ
• Influence of domain walls in the incommensurate charge density wave state of Cu intercalated 1$T$-TiSe${}_2$
• Observation of a Charge Density Wave Incommensuration Near the Superconducting Dome in CuxTiSe2
• Electronic and vibrational properties of ${\text{TiSe}}_2$ in the charge-density wave phase from first principles
• Stable charge density wave phase in a 1T-TiSe${}_2$ monolayer
• Manipulating charge-density-wave in $1T$-TaS${}_2$ by charge carrier doping: A first-principles investigation
• Anomalous Electron Transport in Field-Effect Transistors with Titanium Ditelluride Semimetal Thin-Film Channels
• Femtosecond data storage, processing and search using collective excitations of a macroscopic quantum state

Cited by in corpus (17)

• Ultrafast charge ordering by self-amplified exciton-phonon dynamics in TiSe${}_2$
• Excitonic effects in two-dimensional TiSe${}_2$ from hybrid density functional theory
• First-principles study of superconductivity in 2D and 3D forms of PbTiSe${}_2$: Suppressed charge density wave in 1\emph{T}-TiSe${}_2$
• Strain-induced stripe phase in charge ordered single layer NbSe${}_2$
• Charge Density Wave Hampers Exciton Condensation in 1T-TiSe${}_2$
• Effect of Strain on Charge Density Wave Order in the Holstein Model
• Superconductivity induced by gate-driven hydrogen intercalation in the charge-density-wave compound 1T-TiSe2
• Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe${}_2$
• Electron correlations rule the phonon-driven instability in single layer TiSe${}_2$
• Tightly bound excitons in two-dimensional semiconductors with a flat valence band
• A Theoretical Investigation of Charge Density Wave Instability in CuS${}_2$
• 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