Magnetism and magnetocrystalline anisotropy in vacancy doped and (non)metal adsorbed single-layer PtSe₂

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• 作者：Wei Zhang^a ; ^{zhangw@nfpc.edu.cn} ; Xiao Jiao Song^a ; Nan Zhou^a ; Hao Li^a ; Jie Huang^b
• 关键词：First-principles calculations ; Transition-metal dichalcogenide ; Adsorption ; Magnetocrystalline anisotropy
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：129
• 期：Complete
• 页码：171-177
• 全文大小：1573 K
• 卷排序：129

文摘

1L-PtSe2 with VPt has large MAE (30.4 meV/VPt). The metal-free magnetism is induced by the B(F) adatom. 1L-PtSe2 has stronger adsorption capability to nonmetal atoms than that of the 1L-MoS2.