Structural, mechanical, and electronic properties of 25 kinds of Ⅲ–Ⅴbinary monolayers: A computational study with first-principles calculation

Using first-principle calculations, we investigate the mechanical, structural, and electronic properties and formation energy of 25 kinds of Ⅲ–V binary monolayers in detail. A relative radius of the binary compound according to the atomic number in the periodic table is defined, and based on the definition, the 25 kinds of Ⅲ–V binary compounds are exactly located at a symmetric position in a symmetric matrix. The mechanical properties and band gaps are found to be very dependent on relative radius, while the effective mass of holes and electrons are found to be less dependent. A linear function between Young’s modulus and formation energy is fitted with a linear relation in this paper. The change regularity of physical properties of B–V(V = P, As, Sb, Bi) and Ⅲ–N(Ⅲ = Al, Ga, In, Tl) are found to be very different from those of other Ⅲ–V binary compounds.

Effect of initial crystallization temperature and surface diffusion on formation of GaAs multiple concentric nanoring structures by droplet epitaxy

GaAs multiple concentric nano-ring structures(CNRs)are prepared with multistep crystallization procedures by droplets epitaxy on GaAs(001)to explore the influence of different initial crystallization temperatures on CNRs morphology.Atomic force microscope(AFM)images show that GaAs nanostructures are more likely to form elliptical rings due to diffusion anisotropy.Meanwhile,with the increase of initial crystallization temperature,the inner ring height and density of CNRs are increased,and outer rings are harder to form.In addition,the mechanism of formation of CNRs is discussed by classical nucleation theory and diffusion theory.The method can be used to calculate the diffusion activation energy of gallium atoms(0.7±0.1 eV)on the GaAs(001)surface conveniently.