Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1867462 | Physics Letters A | 2010 | 5 Pages |
Abstract
The electronic structures and magnetic properties of Fe1 â xZnxCr2S4 (x=0.0,0.5,0.75,1.0) have been studied within the generalized gradient approximation (GGA) and GGA+U schemes. The calculated results reveal that with increasing Zn content the cell volume shrinks slightly; the system changes from ferrimagnetism to antiferromagnetism. The materials were found to be semiconductor in the compositional range of 0⩽x⩽0.5 and insulator in 0.75⩽x⩽1.0. Our calculations reveal that the semiconducting ground state for FeCr2S4 is both the Jahn-Teller effect and the Coulomb correlation effect. The calculated results for the magnetic phase transition are in a good agreement with experiments.
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Authors
Q.F. Li, L.F. Chen, J.G. Yin,