相关论文: Anisotropic Ripple Deformation in Phosphorene
Phosphorene, a single layer of black phosphorus, is a direct-band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural…
Resistivity measurements of a few-layer black phosphorus (bP) crystal in parallel magnetic fields up to 45 T are reported as a function of the angle between the in-plane field and the source-drain (S-D) axis of the device. The…
The two-dimensional semiconductor phosphorene has attracted extensive research interests for potential applications in optoelectronics, spintronics, catalysis, sensors, and energy conversion. To harness phosphorene's potential requires a…
We report a molecular dynamics study on the tensile mechanics of graphene as gradually rotating the tensile direction from armchair to zigzag direction, covering the complete range of chiral directions which has never been explored so far.…
We predict that illumination by a plane electromagnetic wave of optically resonant membranes, such as graphene or monolayers of transition metal dichalcogenides, directly affects their mechanical tension. The induced optomechanical tension…
We investigate the anisotropic hybrid plasmon-SO phonon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN and Al2O3. We calculate these hybrid modes with using the…
Strain is prominent in fabricated samples of two-dimensional semiconductors and it also serves as an exploitable tool for engineering their properties. However, quantifying strain and characterizing its spatially inhomogeneous distribution…
We calculate an electron-phonon scattering and intrinsic transport properties of black phosphorus monolayer using tight-binding and Boltzmann treatments as a function of temperature, carrier density, and electric field. The low-field…
The Poisson's ratio characterizes the resultant strain in the lateral direction for a material under longitudinal deformation. Though negative Poisson's ratios (NPR) are theoretically possible within continuum elasticity, they are most…
Screening in reduced dimensions has strong consequences on the electronic properties in van der Waals semiconductors, impacting the quasiparticle band gap and exciton binding energy. Screening in these materials is typically treated…
In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while…
Using first-principles calculations, we have investigated the evolution of band-edges in few-layer phosphorene as a function of the number of P layers. Our results predict that monolayer phosphorene is an indirect band gap semiconductor and…
This work presents theoretical demonstration of Aharonov-Bohm (AB) effect in monolayer phosphorene nanorings (PNR). Atomistic quantum transport simulations of PNR are employed to investigate the impact of multiple modulation sources on the…
Manipulating topological disclination networks that arise in a symmetry-breaking phase transfor- mation in widely varied systems including anisotropic materials can potentially lead to the design of novel materials like conductive…
We explore the oxidation of a single layer of black phosphorous using ab initio density functional theory calculation. We search for the equilibrium structures of phosphorene oxides, PO$_x$ with various oxygen concentrations $x$…
We derive the general Fresnel coefficients for reflection by incorporating the Fizeau drag effect in doped graphene, which arises from the unique behavior of its massless Dirac electrons. Using the standard Maxwell equations and…
We study the effect of the curved ripples observed in the free standing graphene samples on the electronic structure of the system. We model the ripples as smooth curved bumps and compute the Green's function of the Dirac fermions in the…
Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, have exhibited promising application prospect in biology. Nonetheless, the wetting and diffusive properties of bio-fluids on phosphorene are still elusive. In this study,…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
Using the tight-binding approach, we investigate the thermoelectric (TE) properties of rectangular phosphorene nanorings for both symmetrically and asymmetrically attaching to phosphorene nanoribbon leads. We design our phosphorene-based…