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Negative Thermal Expansion and Magnetic Transition in Anti-Perovskite Structured Mn3Zn1−xSnxN Compounds

✍ Scribed by Ying Sun; Cong Wang; Yongchun Wen; Lihua Chu; Hui Pan; Man Nie; Meibo Tang


Book ID
109262962
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
196 KB
Volume
93
Category
Article
ISSN
0002-7820

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We have investigated the structural, electronic and magnetic properties of Mn 3 Cu 1 À x Sn x N(x ¼0, 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 ¼ 0 while it