Controllable phase transitions between multiple charge density waves in monolayer 1T-VSe via doping and strain engineering
arXiv:2011.03692 · doi:10.1063/5.0068241
Abstract
Two-dimensional (2D) materials are known to possess emergent properties that are not found in their bulk counterparts. Recent experiments have shown a charge density wave (CDW) in monolayer 1T-VSe, in contrast to the phase in bulk. Here, via first-principles calculations, we show that multiple CDW phases compete in monolayer VSe, the ground state of which can be tuned by charge doping and in-plane biaxial strain. With doping, the CDW of the pristine VSe transfers to a and phase, the latter of which is a projection of the bulk counterpart, at critical doping concentrations of around 0.2 holes per formula unit and 0.25 electrons per formula unit, respectively. The CDW phase can also be stabilized under compressive strain. Although electron-phonon coupling is prevailing in the CDW formation, we show that Fermi surface nesting is a good starting point to explain most of these transitions in monolayer 1T-VSe. These results make VSe an appealing material for electronic devices based on controllable CDW phase transitions.
References in corpus (29)
- Electric Field Effect in Atomically Thin Carbon Films
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Optimized norm-conserving Vanderbilt pseudopotentials
- Magnetic 2D materials and heterostructures
- Valley filter and valley valve in graphene
- Fermi surface nesting and the origin of Charge Density Waves in metals
- Controlling many-body states by the electric-field effect in a two-dimensional material
- Classification of Charge Density Waves Based on Their Nature
- Extended Phonon Collapse and the Origin of the Charge-Density-Wave in NbSe
- Tailoring Magnetic Anisotropy in CrGeTe by Electrostatic Gating
- Structure and Control of Charge Density Waves in Two-Dimensional 1T-TaS2
- Emergence of a Metal-Insulator Transition and High Temperature Charge Density Waves in VSe2 at the Monolayer Limit
- A quantum phase transition from triangular to stripe charge order in NbSe
- Unique gap structure and symmetry of the charge density wave in single-layer VSe
- Large valley splitting in monolayer WS by proximity coupling to an insulating antiferromagnetic substrate
- Evidence of Spin Frustration in Vanadium Diselenide Monolayer Magnet
- Absence of ferromagnetism in VSe caused by its charge density wave phase
- Observation of a Charge Density Wave Incommensuration Near the Superconducting Dome in CuxTiSe2
- Crystalline and electronic structure of single-layer TaS
- Magnetic Transition in Monolayer VSe2 via Interface Hybridization
- Atomic-Scale Strain Manipulation of a Charge Density Wave
- Dimensional cross-over of the charge density wave order parameter in thin exfoliated 1T-VSe
- Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe
- Phonon collapse and van der Waals melting of the 3D charge density wave of VSe
- Charge-density-wave phase, mottness and ferromagnetism in monolayer -NbSe
- Strain-induced stripe phase in charge ordered single layer NbSe
- A Unified Picture of Lattice Instabilities in Metallic Transition Metal Dichalcogenides
- Universal renormalization group flow toward perfect Fermi-surface nesting driven by enhanced electron-electron correlations in monolayer vanadium diselenide