期刊
APPLIED SURFACE SCIENCE
卷 541, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2020.148421
关键词
W/MgO(001)/Ag(001) heterojunction; Magnetic anisotropy energy; First-principles calculations
类别
资金
- National Natural Science Foundation of China [11764034, 11464038, 21403144, 11664028, 51661030]
- National Key Projects for Basic Research of China [2015CB921203]
- National Key Research Programme of China [2016YFA0201004]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT_15R46]
- Yangtze River scholar research project of Shihezi University [CJXZ201601]
This study demonstrates the potential to enhance magnetic anisotropy by functionalizing a single W atom with hydroxy radicals on the MgO/Ag heterojunction. The resulting system exhibits a remarkable perpendicular MAE and provides a promising approach for high-density information storage devices at the nanoscale.
Large perpendicular magnetic anisotropy energy (MAE) is crucial for designing high-density information storage devices. Here, employing first-principles calculations, it has shown the possibility to boost the magnetic anisotropy using a single W atom functionalized by radical of hydroxy (OH-) on the MgO(001)/Ag(001) heterojunction. The OH-functionalized system exhibited the giant perpendicular MAE of 214.76 meV, which outperformed all the reported heterojunctions. The underlying mechanism for the enormous MAE is attributed to the doubly degenerated d-orbitals around the Fermi level caused by a special OH-ligand field which alters the spin-orbit coupling Hamiltonian and enhances the magnetic anisotropy. Meanwhile, the small spin magnetic moment of 1.829 mu(B) is obtained due to the strong OH-ligand field. This work provides a new approach to generate high perpendicular MAE that is very promising for nanoscale magnetic devices.
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