Sanyal, Prabuddha ; Das, Hena ; Saha-Dasgupta, T. (2009) Evidence of kinetic-energy-driven antiferromagnetism in double perovskites: a first-principles study of La-doped Sr2FeMoO6 Physical Review B: Condensed Matter and Materials Physics, 80 (22). 224412_1-224412_10. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v80/i22/e224412
Related URL: http://dx.doi.org/10.1103/PhysRevB.80.224412
Abstract
Using first-principles density-functional calculations, together with exact diagonalization of Fe-Mo Hamiltonian constructed in a first-principles Wannier-function basis, we studied the electronic structure of La-doped double-perovskite compound Sr2FeMoO6. Our calculation shows stabilization of kinetic-energy-driven antiferromagnetic phase for La-rich compounds, in agreement with the results obtained on the basis of previous model calculations.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 65074 |
| Deposited On: | 15 Oct 2011 12:00 |
| Last Modified: | 15 Oct 2011 12:00 |
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