1. Title: study of structural properties of rocksalt (b1)
Authors : Dr. Alka Singh, Dr. Navin Kumar
Pages : 24-26
DOI : http://dx.doi.org/10.21172/1.94.05
Keywords : Structural Properties of Rocksalt, TBP, van der Waals attraction (Vdw) Abstract :In rock salt or sodium chloride structure each of the two different atom forms a separate facecantered cubic lattice, with the two lattices interpenetrating so as to form a 3D checkerboardpattern. Generally, this structure is more likely to be formed if the cation is slightly smaller thanthe anion. The space group of this structure is Fm3m (225) and strukturbericht designation is. Inthis structure the coordination number of each atom is 6: each caption is coordinated to 6 anionsat the vertices of an octahedron, and similarly, each anion is coordinated to 6 captions at thevertices of an octahedron. The rock salt structure has ccp/fcc anions with octahedral sites fullyoccupied by cations and tetrahedral sites empty. Each cation is surrounded by six anions andsimilarly, each anion is octahedrally coordinated by cations (to see this, consider the anion at thebody centreThese materials are important promising engineering materials that are used in various industrialapplications such as electronics, petroleum, aerospace, high power, high temperatureengineering, nuclear industry and chemical industry [1-5]. These materials are partially covalentafter certain range. Therefore, a number of experimental and theoretical workers have devotedtheir efforts to study the nature of these interactions, which are considered as a function ofnearest and next nearest neighbours distance. Interacting forces in a crystal dictate the properties of the solid-state materials. To describe this effect the term mixed crystal is used. If the impurityion behaves in the same charge to the Lattice ions. Wasastijerma [21] carried out a thoroughstudy on mixed alkali halides and found that the mixed alkali halides reflected the X-rays as ifthey are homogeneous solutions. It should be realized that the impurity ions are all distributedrandomly throughout the Lattice so that the term solid solution is more appropriate In presentstudy three body potential (TBP) has successfully explained both static and dynamical propertiesof materials with three different cubic structure, namely rock salt (RS). The chief aim of thepresent study it to reformulate the TBP by including the effects of the long range coulomb andthree-body interaction as well as the van der Waals attraction (Vdw) and overlap repulsion. Wehave applied this TBP model to the several mixed ionic solids.
Citing this Journal Article :Dr. Alka Singh, Dr. Navin Kumar, "Title: study of structural properties of rocksalt (b1) ", Volume 9 Issue 4 - February 2018, 24-26
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