Role of exchange splitting and ligand-field splitting in tuning the magnetic anisotropy of an individual iridium atom on Ta S2 substrate

In this work, using first-principles calculation we investigate the magnetic anisotropy (MA) of single-atom iridium (Ir) on Ta S2 substrate. We find that the strength and direction of MA in the Ir adatom can be tuned by strain. The MA arises from two sources, namely the spin-conservation term and th...

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Veröffentlicht in:	Physical review. B 2021-06, Vol.103 (22), p.1
Hauptverfasser:	Yan, Shiming, Qiao, Wen, Jin, Deyou, Xu, Xiaoyong, Mi, Wenbo, Wang, Dunhui
Format:	Artikel
Sprache:	eng
Schlagworte:	Adatoms Conservation Exchanging First principles Iridium Ligands Magnetic anisotropy Orbitals Spin-orbit interactions Splitting Substrates Transition metal compounds Tuning
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