Controlling the stability and the electronic structure of transition metal dichalcogenide single layer under chemical doping

By means of ab initio calculation based on density-functional theory (DFT), we have investigated the electronic and optical properties of single layer MoSe₂ under chemical doping by various groups, such as ?H, ?OH, ?NH₂ and ?CH₃. This work is generalized for all polymorph 1H, 1T, 1T′ and the new investigated phase 1T″. We found that all those functional groups (FG) bonded covalently to the chalcogen atom (Se). The evaluation of adsorption energy shows that the hydrogen atom binds more strongly than other functional groups in particular with the T phase. Furthermore, the attachment of functional groups to T-MoSe₂ leads to dramatic changes to the structure stability and the optoelectronic properties of the material by tuning its band gap from metallic to a semiconductor. Also, we found that the band gap is strongly depending on the type and the densities of dopants.     

The survival probability of critical and subcritical branching processes in finite state space Markovian environment

Let ${\left(Z_n\right)}_{n\ge 0}$ be a branching process in a random environment defined by a Markov chain ${\left(X_n\right)}_{n\ge 0}$ with values in a finite state space $\mathbb{X}$. Let ${\mathbb{P}}_i$ be the probability law generated by the trajectories of ${\left(X_n\right)}_{n\ge 0}$ starting at $X_0=i\in \mathbb{X}.$ We study the asymptotic behaviour of the joint survival probability ${\mathbb{P}}_i\left(Z_n>0,X_n=j\right)$, $j\in \mathbb{X}$ as $n\to +\infty$ in the critical and strongly, intermediate and weakly subcritical cases.     

Heavy tails for an alternative stochastic perpetuity model

In this paper we consider a stochastic model of perpetuity-type. In contrast to the classical affine perpetuity model of Kesten (1973) and Goldie (1991) all discount factors in the model are mutually independent. We prove that the tails of the distribution of this model are regularly varying both in the univariate and multivariate cases. Due to the additional randomness in the model the tails are not pure power laws as in the Kesten–Goldie setting but involve a logarithmic term.     

The local ultraconvergence of high‐order finite element method for second‐order elliptic problems with constant coefficients over a rectangular partition

In this article, we will discuss the local ultraconvergence of high‐degree finite element method based on a rectangular partition for the second‐degree elliptic problem with constant coefficients in Ω ? ?² , u( y ) = 0 on ?Ω . Based on suitable regularity, ultraconvergence of the displacement of the extrapolated kth (k ≥ 3) degree finite element solution has been obtained by an extrapolation technique. Finally, numerical experiments are applied to demonstrate our theoretical findings.     

Optimal packings of two to four equal circles on any flat torus

We find explicit formulas for the radii and locations of the circles in all the optimally dense packings of two, three or four equal circles on any flat torus, defined to be the quotient of the Euclidean plane by the lattice generated by two independent vectors. We prove the optimality of the arrangements using techniques from rigidity theory and topological graph theory.