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- W1997713360 abstract "The structural and electronic properties of MoP has been investigated in WC‐, NaCl‐, and zinc‐blende (ZB)‐type structures, in non‐magnetic phase, using density functional theory with a plane wave basis set. The generalized gradient approximation (GGA) has been used for exchange correlation. From the total energy calculation it is observed that MoP is stable in WC‐type structure. The calculated equilibrium lattice parameter, bulk modulus, first order pressure derivative of bulk modulus are in good agreement with available data. The band structure and density of states are presented in WC‐type structure and it is found that MoP shows metallic nature." @default.
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- W1997713360 date "2011-01-01" @default.
- W1997713360 modified "2023-09-23" @default.
- W1997713360 title "Structural Stability and Electronic Properties of MoP" @default.
- W1997713360 doi "https://doi.org/10.1063/1.3606127" @default.
- W1997713360 hasPublicationYear "2011" @default.
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