Article ID Journal Published Year Pages File Type
5394618 Computational and Theoretical Chemistry 2012 4 Pages PDF
Abstract
► Ferromagnetic state is the favourable ground state of both studied compounds. ► The magnetic moment decreases from Mn3ZnC (7.02 μB) to Mn3GeC (3.18 μB). ► Mn3GeC presents the highest elastic constants B, G, E and A. ► Electrical conductivity and the magnetic behaviour are governed by Mn d electrons. ► Valence charge density shows a mixture of covalent, ionic and metallic bonds.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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