Author:
Walia Samandeep Singh,Rizal Gopal,Munjal Neha,Majumdar Agnibha Das,Kamboj Uma
Abstract
Abstract
In this research work, the structural parameters of industrial technologically important CuBrxI1-x ternary alloy compound has been systematically accomplished through computational approach within the DFT parameters. For the compound CuBrxI1-x, the concentration of dopant has been taken in the range of 0 to 1. CRYSTAL code is the computational software has been used to scrutinize the consequence of dopant on structural parameters. A cutback has been witnessed in the lattice constant with the enlargement in cluster concentration of I into CuBr while the bulk modulus kept on increasing. The results obtained are in good coordination with the previous work done.
Subject
General Physics and Astronomy
Cited by
2 articles.
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