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Pseudo-half-metallicity in the double perovskite Sr2 CrRe O6 from density-functional calculationsPublished in
2005
DOI: 10.1063/1.1855418
Volume: 86
Issue: 3
Pages: 1 - 3
The electronic structure of the spintronic material Sr2 CrRe O6 is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr2 CrRe O6 to be half-metallic with a magnetic moment of 1 μB. When spin-orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28 μB. This moment is significantly larger than the experimental moment of 0.9 μB. A possible explanation of this discrepancy is that the anti-site disorder in Sr2 CrRe O6 is significantly larger than hitherto assumed. © 2005 American Institute of Physics.
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Content may be subject to copyright.This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publ... ...This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in [Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations. Applied Physics Letters 86, 3 p032513 (2005)] and may be found at https://doi.org/10.1063/1.1855418.
About the journal
| Journal | Applied Physics Letters |
|---|---|
| ISSN | 00036951 |
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