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STRUCTURAL AND MAGNETIC PROPERTIES OF DOUBLE-PEROVSKITE Ba2MnMoO6 BY DENSITY FUNCTIONAL THEORY |
| R. Cardona, D.A. Landınez Tellez, J. Arbey Rodrıguez M., F. Fajardo, J. Roa-Rojas |
Perovskite-like materials which include magnetic elements have relevance due to the technological perspectives in the spintronics
industry. In this work, we report the studies of Ba2MnMoO6 material by using the density functional theory. The interchange-correlation
potential was included through the generalized gradient approximation. Our structural calculations are in agreement with the
experimental results which show that the material crystallizes in the 225 space group (Fm3¯m) and has a lattice parameter of about
8070A ˚ . The density of states study was carried out by considering the up and down spin orientations. Results show that Ba2MnMoO6
has a conductor behavior due to dominant Mn spin-up and Mo spin-down contributions. The magnetic moment was calculated to be
2.9 mB. |
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