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Structural, elastic, electronic and magnetic properties of Mn3ZnC and Mn3GeC

✍ Scribed by Y. Medkour; A. Roumili; L. Louail; D. Maouche; A. Saoudi

Book ID
116380171
Publisher
Elsevier
Year
2012
Tongue
English
Weight
744 KB
Volume
991
Category
Article
ISSN
2210-271X

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Structural, electronic and magnetic properties of negative thermal expansion material Mn3Cu1βˆ’xSnxN
✍ L. Hua; J. He πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 719 KB

We have investigated the structural, electronic and magnetic properties of Mn 3 Cu 1 Γ€ x Sn x N(x ΒΌ0, 0.5) using first-principles density functional theory within the generalized gradient approximation (GGA) + U schemes. The crystal structure of the compounds is tetragonal crystal for x ΒΌ 0 while it