Abstract
A systematic theoretical study of 4dtransition metal nitride, PdN has been carried out using ab initio full potential LAPW method (FP-LAPW) within the generalized gradient approximation (GGA). PdN crystallizes in zinc-blende structure, which is found to be most stable one. We have calculated the ground state properties in terms of lattice constant (a0), Bulk modulus (B0) and its Pressure derivative (B0). The electronic properties such as band structure and density of states reveal that PdN is metallic in nature with large overlap of Pd-delectron at Fermi level. The elastic constant are in good agreement with previous theoretical results for zinc-blende structure.
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