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ChemInform Abstract: First-Principles Study of Defective and Nonstoichiometric Sr2FeMoO6. |
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| Authors: | Rohan Mishra Oscar D Restrepo Patrick M Woodward Wolfgang Windl |
| Institution: | Dep. Mater. Sci. Eng., Ohio State Univ., Columbus, OH 43210, USA |
| Abstract: | The influence of disorder and stoichiometry-breaking point defects on the structural and magnetic properties of Sr2FeMoO6 is studied by electronic structure calculations within the spin-polarized GGA+U approach. |
| Keywords: | theory of the condensed state dielectric properties magnetic properties iron Fe molybdenum Mo strontium Sr |