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Motivated by recent experimental progress, we study the effect of mechanical deformations on the superconducting pairing symmetries in monolayer black phosphorus (MBP). Starting with phonon-mediated intervalley spin-singlet…
Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applications, ranging from electronics, photonics, phononics, to…
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…
Structural anisotropy in layered two-dimensional materials can lead to highly anisotropic optical absorption which, in turn, can profoundly a^ect their phonon modes. These e^ects include lattice orientation-dependent and excitation…
The optical response of phosphorene can be gradually changed by application of moderate uniaxial compression, as the material undergoes the transition into an indirect gap semiconductor and eventually into a semimetal. Strain tunes not only…
Terahertz (THz) electromagnetic radiation is key to optically access collective excitations such as magnons (spins), plasmons (electrons), or phonons (atomic vibrations), thus bridging between optics and solid-state physics. Confinement of…
Anisotropy describes the directional dependence of a material's properties such as transport and optical response. In conventional bulk materials, anisotropy is intrinsically related to the crystal structure, and thus not tunable by the…
Using first principles calculations we showed that the electronic and optical properties of single layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic…
We systematically evaluate the prospects of a novel 2D nanomaterial, phosphorene, as anode for Na-ion batteries. Using first-principles calculations, we determine the Na adsorption energy, specific capacity and Na diffusion barriers on…
Materials and systems that exhibit persistent spin texture provide a platform for creating robust spin states that can be used in quantum computing, memory storage, and other advanced technological applications. In this paper we show that…
Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si…
We investigate, based on the tight-binding model and in the linear deformation regime, the strain dependence of the electronic band structure of phosphorene, exposed to a uniaxial strain in one of its principle directions, the normal, the…
We performed a first-principles study of the electronic behavior of a 2D hexagonal boron phosphide monolayer (2D-h-BP). The system was deformed isotropically by applying a simultaneous tensile strain along the a and b crystal axes. We…
Anisotropic hyperbolic phonon polaritons (PhPs) in natural biaxial hyperbolic material MoO$_3$ has opened up new avenues for mid-infrared nanophotonics, while active tunability of $\alpha$-MoO$_3$ PhPs is still an urgent problem needing to…
Layered two-dimensional materials have shown novel optoelectronic properties and are well suited to be integrated in planar photonic circuits. For example, graphene has been utilized for wideband photodetection. Because graphene lacks a…
The honeycomb lattice of graphene is a unique two-dimensional (2D) system where the quantum mechanics of electrons is equivalent to that of relativistic Dirac fermions. Novel nanometer-scale behavior in this material, including electronic…
Strain provides an effective means to tune the electrical properties while retaining the native chemical composition of the material. Unlike three-dimensional solids, two-dimensional materials withstand higher levels of elastic strain…
Materials with very low thermal conductivity are of high interest for both thermoelectric and optical phase-change applications. Synthetic nanostructuring is most promising to suppress thermal conductivity by scattering phonons, but…
We perform classical molecular dynamics simulations to examine the intrinsic energy dissipation in single-layer MoS$_{2}$ nanoresonators, where a point of emphasis is to compare its dissipation characteristics with those of single-layer…
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…