Anisotropic Ripple Deformation in Phosphorene
arXiv:1412.7602 · doi:10.1021/acs.jpclett.5b00522
Abstract
Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.
arXiv commentJ. Phys. Chem. Lett. 2015
References in corpus (25)
- Electric Field Effect in Atomically Thin Carbon Films
- The SIESTA method for ab initio order-N materials simulation
- Efficient index handling of multidimensional periodic boundary conditions
- Two Dimensional Atomic Crystals
- Black phosphorus field-effect transistors
- Phosphorene: A New 2D Material with High Carrier Mobility
- High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
- Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
- Intrinsic ripples in graphene
- Strain-induced gap modification in black phosphorus
- Ripple Texturing of Suspended Graphene Atomic Membranes
- Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
- Superior mechanical flexibility of phosphorene and few-layer black phosphorus
- Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
- Negative Poisson's Ratio in Single-Layer Black Phosphorus
- Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene
- A black phosphorus photo-detector for multispectral, high-resolution imaging
- Access and in situ Growth of Phosphorene-Precursor Black Phosphorus
- Effect of van der Waals interactions on the structural and elastic properties of black phosphorus
- Black Phosphorus Radio-Frequency Transistors
- Self-Consistent Theory of Polymerized Membranes
- Unusual Scaling Laws of the Band Gap and Optical Absorption of Phosphorene Nanoribbons
- Mechanical Properties of Single-Layer Black Phosphorus
- Phosphorene as a superior gas sensor: Selective adsorption and distinct I-V response
- Semiconductor to Metal Transition, Dynamical Stability and Superconductivity of Strained Phosphorene
Cited by in corpus (14)
- Defect in Phosphorene
- Auxetic Black Phosphorus: A 2D Material with Negative Poisson's Ratio
- Large Electronic Anisotropy and Enhanced Chemical Activity of Highly Rippled Phosphorene
- An Analytic Study of Strain Engineering the Electronic Bandgap in Single-Layer Black Phosphorus
- Environmental Stability of Bismuthene: Oxidation Mechanism and Structural Stability of 2D Pnictogens
- Anisotropic buckling of few-layer black phosphorus
- Out-of-plane structural flexibility of phosphorene
- Effect of long-range structural corrugations on magnetotransport properties of phosphorene in tilted magnetic field
- Misfit strain effect on the thermal expansion coefficient of graphene/MoS van der Waals heterostructures
- Effect of Vacancies on the Mechanical Properties of Phosphorene Nanotubes
- Highly stable electronic properties of rippled antimonene under compressive deformation
- Thermal stability of a free nanotube from single-layer black phosphorus
- Thermodynamic stability and vibrational anharmonicity of black phosphorene-beyond quasi-harmonic analysis
- 2D Black Phosphorus Carbide: Rippling and Formation of Nanotubes