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arXiv · 0905.4199

Compensated magnetism by design in double perovskite oxides

Victor Pardo·Warren E. Pickett
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Abstract

Taking into account Goodenough's superexchange rules, including both full structural relaxation and spin-orbit coupling, and checking strong correlation effects, we look for compensated half metals within the class of oxide double perovskites materials. Identifying likely half metallic (or half semimetallic) antiferromagnets, the full complications including orbital magnetism are included in order to arrive at realistic predictions of designed magnetic compounds with (near) vanishing net moment. After sorting through several candidates that have not been considered previously, two materials, K$_2$MnRhO$_6$ and La$_2$CrWO$_6$, remain as viable candidates. An important factor is obtaining compounds either with very small induced orbital moment (helped by closed subshells) or with an orbital moment that compensates the spin-orbit driven degradation of half metallic character. While thermodynamic stability of these materials cannot be ensured, the development of layer-by-layer oxide deposition techniques does not require that materials be thermodynamically stable to be synthesized.

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Victor Pardo, Warren E. Pickett. 2009-05-26. Compensated magnetism by design in double perovskite oxides. https://doi.org/10.1103/physrevb.80.054415

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