The present work has capped the basic features of Ca0.875Ba0.125Te alloy. The full potential linearized improved plane wave (FP-LAPW) scheme, that is based on mass functional hypothesis in the framework of statement gradient closeness (GGA), has been used to study the ground-state features as well as the ocular, mechanical, adaptable, and warm properties of the Ca0.875Ba0.125Te alloy. In order to model Ca1-xBaxTe alloy, 16-atoms supercell of the type 2 x 2 x 2 is working. The lattice makeup of Ca0.875Ba0.125Te alloy is obtained by replacement one Ca minimum by one Ba jot in the crystal mesh of CaTe. The charge density plot, photoelectric structure and mass of states plots are made and considered for the alloy. The lower valence band maxima (VBM) and the superior conduction band minima (CBM) of Ca0.875Ba0.125Te alloy is situated at Г point, ensuing in a direct band breach, whereas either of parent ingredient CaTe the nature of the band break is indirect. The characteristic possessions of Ca0.875Ba0.125Te alloy is dominated by Te 5p electrons (beneath the Fermi level) and Ba 4d and Ca 3d electrons (above the Fermi level). The highest sigma and maximum Energy deficit of Ca0.875Ba0.125Te happen at lower and bigger photon strengthes, respectively. As a result, Ca0.875Ba0.125Te concluded electrical and ocular characteristics display that it is an appropriate material for use in solar containers and optical schemes.
Author(s) Details:
M. Manjula,
Department
of Physics, Sathyabama Institute of Science and Technology, Chennai,Tamilnadu,
India.
Please see the link here: https://stm.bookpi.org/CPPSR-V1/article/view/11915
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