Electronic and optical properties of Sr3X2 (X=N,P, As,Sb and Bi) compounds: first principles study

ABSTRACT

Direct bandgap semiconductors are very essential to fulfil the demand for the advancement in optoelectronic devices. Therefore it is important to predict new potential candidates having such unique features. In current work, Sr₃X₂ (X=N, P, As, Sb and Bi) compounds have been reported for the first time by well trusted FP-APW+lo method. For the better prediction of the energy band gap, mBJ is used alongwith routine generalised gradient approximation (GGA). The results show small and direct energy band gaps at Γ-Γ symmetry points with magnitude in the range from 0.62?eV (Sr₃P₂) to zero energy band gap (Sr₃Bi₂). In partial density of state Sr-d state and X-p state are contributed in the band structure. The compounds show mostly covalent bonding nature. The frequecy dependent optical properties in the linear optical range are also investigated.     

Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications,especially dye-sensitized solar cells

Research on Chemical Intermediates - A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a...     

Condensation of all-cis-tetraphenylcyclotetrasiloxanetetraol in ammonia: new method for preparation of ladder-like polyphenylsilsesquioxanes

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Some inequalities for the polar derivative of a polynomial

LetP(z) be a polynomial of degreen which does not vanish in |z|<1. In this paper, we estimate the maximum and minimum moduli of thekth polar derivative ofP(z) on |z|=1 and thereby obtain compact generalizations of some known results, which among other results, yields interesting refinements of Erdos-Lax theorem and a theorem of Ankeny and Rivlin.     

Parametric Quintic-Spline Approach to the Solution of a System of Fourth-Order Boundary-Value Problems

In this paper, we use parametric quintic splines to derive some consistency relations which are then used to develop a numerical method for computing the solution of a system of fourth-order boundary-value problems associated with obstacle, unilateral, and contact problems. It is known that a class of variational inequalities related to contact problems in elastostatics can be characterized by a sequence of variational inequations, which are solved using some numerical method. Numerical evidence is presented to show the applicability and superiority of the new method over other collocation, finite difference, and spline methods.     

On self-reciprocal polynomials

In this paper we establish a sharp result concerning integral mean estimates for self-reciprocal polynomials.     

Near-optimal design of Global Positioning System (GPS) networks using the Tabu Search technique

This paper describes an optimization technique based on an heuristic procedure which is applied to analyse and improve the efficiency of the design of Global Positioning System (GPS) surveying networks. GPS is a valuable survey tool because of its ability to increase the accuracy, speed and flexibility of a survey. A GPS network can be defined as a number of stations, which are co-ordinated by a series of sessions, formed by placing receivers on stations. The goal is to select the best order in which these sessions can be organised to give the best possible schedule. Generally, solving large networks to optimality requires impractical computational time. This paper proposes a Tabu Search technique which provides optimal or near-optimal solutions for large networks with an acceptable amount of computational effort. Computational results for several case studies with known and unknown optimal schedules have been presented to assess the performance of the proposed technique.     

A novel capacitive pressure sensor structure with high sensitivity and quasi-linear responseUne nouvelle structure de capteur de pression capacitif avec haute sensibilitée et réponse quasi-linéaire

This paper describes a new capacitive structure of pressure sensor to increase simultaneously the sensitivity and the linearity of the transducer. This structure contains two capacitors which change in response to pressure, but in opposite senses. To increase even more the sensitivity of each capacitor, the pressure sensitive diaphragm carries a central boss. The optimal position and the length of the boss are also calculated. To cite this article: A. Ettouhami et al., C. R. Mecanique 332 (2004).