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Effect of transition-metal oxide insertions in magnetocrystalline anisotropy at Fe/MgO interface
| Content Provider | Semantic Scholar |
|---|---|
| Author | Nomura, Takahiro Akiyama, Toru Ito, Tomonori Nakamura, Kohji |
| Copyright Year | 2017 |
| Abstract | Magnetocrystalline anisotropy (MCA) by an application of electric field (E-field) has received much attention as a potential approach for providing a pathway to improve energy power consumption in magnetic recording/memory devices. In practice, however, it is still desired to search ferromagnetic thin-films with high magnetization-switching in response to an external E-field (MCA modification). Previously, we demonstrated that the MCA modification at Fe/MgO interface can be enhanced by inserting heavy metals such as 4d or 5d transition-metals [1]. Here, we extend first principles calculations to investigate the MCA modification at Fe/MgO interface with insertions of oxides of 3d (Fe, Co, Ni), 4d (Ru, Rh, Ir), 5d (Ni, Pd, Pt). Calculations were carried out based on generalized gradient approximation by using full potential linearized augmented method [1]. A model of Au/Fe/MO/MgO (001) was employed, where the 3d, 4d and 5d oxide monolayers (MO) are inserted between three-atomic Fe layer and six-atomic MgO layer, and a nonmagnetic overlayer of three-atomic Au layer is capped at the opposite surface of the Fe layer. The MCA energy (EMCA) is defined as the difference in total energy for magnetizations oriented along the in-plane and perpendicular directions with respect to the film plane, and the MCA modification is estimated by the difference in EMCA between E-fields of ±5 V/nm. For the insertions of 3d or 4d oxides, the EMCAs in zero field and MCA modifications are almost same with those of their pure metal insertions [1]. For the insertions of 5d oxides, however, we find that the EMCAs in zero field are 44.6, 27.7, and 1.98 mJ/m and MCA modifications are -490, -497, and -48.1 fJ/Vm for OsO, IrO, and PtO, respectively; the magnitudes of the MCA modifications are roughly twice larger than those of the pure metal insertions. With the band-filling analysis, we also find that the large enhancement of the MCA modification can be attributed to the change in hybridization between O 2p-M 3d orbitals at the MO/MgO interface caused by E-field-induced atomic displacements. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://confit.atlas.jp/guide/event-img/jsap2017a/5p-C18-6/public/pdf?type=in |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
