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- W2766292875 abstract "Abstract The structural, electronic and ground state properties of rare earth pnictide (TbP) have been studied in the present paper. For this study two approaches have been used. Approach-I includes the density functional theory while the interionic potential model modified with covalency effect have been taken into approach-II. The ground state properties for B1-type TbP are studied by plane wave pseudo potential density functional theory using the quantum espresso code. For understanding the interatomic forces in the present compound, the role of phenomenological models is significant. The comparative study of Lattice constant, bulk modulus and other ground state properties of present pnictide have been reported from both approaches. The calculated ground state properties such as lattice constant and bulk modulus are in good agreement with the available experimental and other theoretical results." @default.
- W2766292875 created "2017-11-10" @default.
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- W2766292875 date "2017-01-01" @default.
- W2766292875 modified "2023-09-27" @default.
- W2766292875 title "Comparing different properties of rare earth pnictide using two approaches" @default.
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- W2766292875 doi "https://doi.org/10.1016/j.matpr.2017.06.228" @default.
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